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2-(4-fluorophenyl)-1H-indole
2-(4-fluorophenyl)-1H-indole ID: AN-47610
CAS:782-17-2
Supplier:AN PharmaTech Co Ltd

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SMILES:Fc1ccc(c2[nH]c3c(c2)cccc3)cc1	136622
FORMULA: C14H10FN
MASS: 211.2343
EXACT MASS: 211.0797275
INTERATOMIC DISTANCES

              F   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   F   1    0.0000 
   N   2    4.6537     0.0000 
   C   3    4.0000     0.9940     0.0000 
   C   4    5.5525     0.9941     1.6095     0.0000 
   C   5    5.5525     1.6117     1.6095     1.0000     0.0000 
   C   6    4.6537     1.6095     0.9941     1.6118     0.9942     0.0000 
   C   7    3.0000     1.7763     1.0000     2.5788     2.5788     1.7764 
   C   8    6.4736     1.8228     2.5962     1.0000     1.7320     2.5577 
   C   9    6.4736     2.5576     2.5962     1.7320     1.0000     1.8228 
   C  10    2.6457     2.6707     1.7320     3.3236     3.0519     2.0845 
   C  11    2.6457     2.0845     1.7320     3.0519     3.3236     2.6708 
   C  12    7.2791     2.6956     3.3000     1.7320     2.0000     2.9792 
   C  13    7.2791     2.9792     3.3000     2.0000     1.7320     2.6956 
   C  14    1.7320     3.5071     2.6457     4.2551     4.0465     3.0842 
   C  15    1.7320     3.0842     2.6457     4.0465     4.2551     3.5072 
   C  16    1.0000     3.6728     3.0000     4.5574     4.5574     3.6729 
   H  17    4.6070     0.6200     1.4478     1.4479     2.2101     2.2072 
   H  18    4.6070     2.2072     1.4479     2.2101     1.4479     0.6200 
   H  19    6.5979     1.9872     2.8922     1.4158     2.2901     3.0272 
   H  20    6.5979     3.0271     2.8922     2.2901     1.4158     1.9872 
   H  21    3.1408     2.8319     1.8397     3.3195     2.8659     1.8718 
   H  22    3.1407     1.8718     1.8396     2.8658     3.3195     2.8319 
   H  23    7.8408     3.2152     3.8842     2.2900     2.6199     3.5979 
   H  24    7.8408     3.5979     3.8842     2.6199     2.2900     3.2152 
   H  25    1.8397     4.0485     3.1408     4.7388     4.4328     3.4459 
   H  26    1.8396     3.4459     3.1407     4.4328     4.7388     4.0485 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.5401     0.0000 
   C   9    3.5401     2.0000     0.0000 
   C  10    1.0000     4.3197     3.8982     0.0000 
   C  11    1.0000     3.8982     4.3197     1.7320     0.0000 
   C  12    4.2911     1.0000     1.7320     4.9540     4.7759     0.0000 
   C  13    4.2911     1.7320     1.0000     4.7759     4.9540     1.0000 
   C  14    1.7320     5.2394     4.8977     1.0000     2.0000     5.9216 
   C  15    1.7320     4.8977     5.2394     2.0000     1.0000     5.7735 
   C  16    2.0000     5.4878     5.4878     1.7320     1.7320     6.2818 
   H  17    1.9693     2.0432     3.1226     2.9468     1.9633     3.0069 
   H  18    1.9694     3.1227     2.0433     1.9634     2.9469     3.4394 
   H  19    3.7625     0.6200     2.6200     4.6215     3.9682     1.4158 
   H  20    3.7625     2.6200     0.6200     3.9682     4.6215     2.2901 
   H  21    1.4158     4.3166     3.6085     0.6201     2.2901     4.8416 
   H  22    1.4157     3.6085     4.3166     2.2900     0.6200     4.5425 
   H  23    4.8667     1.4157     2.2900     5.5575     5.2991     0.6200 
   H  24    4.8667     2.2900     1.4157     5.2991     5.5575     1.4158 
   H  25    2.2901     5.7337     5.2215     1.4158     2.6200     6.3631 
   H  26    2.2900     5.2215     5.7337     2.6199     1.4158     6.1387 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.7735     0.0000 
   C  15    5.9216     1.7320     0.0000 
   C  16    6.2818     1.0000     1.0000     0.0000 
   H  17    3.4394     3.6695     2.9388     3.6663     0.0000 
   H  18    3.0069     2.9388     3.6696     3.6664     2.7881     0.0000 
   H  19    2.2901     5.4909     4.9536     5.6338     2.0176     3.6200 
   H  20    1.4158     4.9536     5.4909     5.6338     3.6199     2.0176 
   H  21    4.5426     1.4158     2.6200     2.2901     3.2129     1.5810 
   H  22    4.8415     2.6199     1.4158     2.2900     1.5810     3.2129 
   H  23    1.4158     6.5180     6.2990     6.8469     3.4575     4.0585 
   H  24    0.6200     6.2990     6.5180     6.8469     4.0584     3.4575 
   H  25    6.1387     0.6201     2.2901     1.4158     4.2508     3.2010 
   H  26    6.3631     2.2900     0.6200     1.4157     3.2010     4.2508 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    3.2400     0.0000 
   H  21    4.6901     3.5925     0.0000 
   H  22    3.5925     4.6901     2.8059     0.0000 
   H  23    1.6199     2.8059     5.4576     5.0239     0.0000 
   H  24    2.8059     1.6199     5.0239     5.4576     1.6200     0.0000 
   H  25    6.0200     5.2104     1.6200     3.2400     6.9695     6.6354 
   H  26    5.2104     6.0199     3.2400     1.6200     6.6353     6.9694 

              H  25      H  26
              ----------------------
   H  25    0.0000 
   H  26    2.8059     0.0000 



ATOMIC CHARGES
   F   1   -0.2054879357
   N   2   -0.3541379802
   C   3    0.0474724969
   C   4    0.0469096650
   C   5    0.0002531394
   C   6   -0.0286724674
   C   7   -0.0015124197
   C   8   -0.0377856544
   C   9   -0.0525685686
   C  10   -0.0499231744
   C  11   -0.0499231744
   C  12   -0.0597838739
   C  13   -0.0610745896
   C  14   -0.0258312317
   C  15   -0.0258312317
   C  16    0.1234402184
   H  17    0.1659053726
   H  18    0.0644749997
   H  19    0.0638211184
   H  20    0.0624088090
   H  21    0.0624940213
   H  22    0.0624940213
   H  23    0.0618219608
   H  24    0.0617774370
   H  25    0.0646295210
   H  26    0.0646295210


BOND ANGLES
   3    2    4  Car  Nar  Car    108.103
   3    2   17  Car  Nar   HC    125.950
   4    2   17  Car  Nar   HC    125.947
   2    3    6  Nar  Car  Car    108.101
   2    3    7  Nar  Car  Car    125.951
   6    3    7  Car  Car  Car    125.948
   2    4    5  Nar  Car  Car    107.848
   2    4    8  Nar  Car  Car    132.151
   5    4    8  Car  Car  Car    120.001
   4    5    6  Car  Car  Car    107.854
   4    5    9  Car  Car  Car    120.001
   6    5    9  Car  Car  Car    132.146
   3    6    5  Car  Car  Car    108.094
   3    6   18  Car  Car   HC    125.953
   5    6   18  Car  Car   HC    125.952
   3    7   10  Car  Car  Car    120.001
   3    7   11  Car  Car  Car    120.001
  10    7   11  Car  Car  Car    119.999
   4    8   12  Car  Car  Car    119.999
   4    8   19  Car  Car   HC    120.001
  12    8   19  Car  Car   HC    120.001
   5    9   13  Car  Car  Car    119.999
   5    9   20  Car  Car   HC    120.001
  13    9   20  Car  Car   HC    120.001
   7   10   14  Car  Car  Car    120.001
   7   10   21  Car  Car   HC    120.002
  14   10   21  Car  Car   HC    119.997
   7   11   15  Car  Car  Car    120.001
   7   11   22  Car  Car   HC    119.998
  15   11   22  Car  Car   HC    120.002
   8   12   13  Car  Car  Car    120.001
   8   12   23  Car  Car   HC    119.998
  13   12   23  Car  Car   HC    120.002
   9   13   12  Car  Car  Car    120.001
   9   13   24  Car  Car   HC    119.998
  12   13   24  Car  Car   HC    120.002
  10   14   16  Car  Car  Car    120.001
  10   14   25  Car  Car   HC    119.997
  16   14   25  Car  Car   HC    120.002
  11   15   16  Car  Car  Car    120.001
  11   15   26  Car  Car   HC    120.002
  16   15   26  Car  Car   HC    119.998
   1   16   14    F  Car  Car    120.001
   1   16   15    F  Car  Car    120.001
  14   16   15  Car  Car  Car    119.999


TORSION ANGLES
   4    2    3    6      0.026
   4    2    3    7    179.974
  17    2    3    6    179.974
  17    2    3    7      0.026
   3    2    4    5      0.026
   3    2    4    8    179.974
  17    2    4    5    179.974
  17    2    4    8      0.026
   2    3    6    5      0.026
   2    3    6   18    179.974
   7    3    6    5    179.974
   7    3    6   18      0.026
   2    3    7   10    179.974
   2    3    7   11      0.026
   6    3    7   10      0.026
   6    3    7   11    179.974
   2    4    5    6      0.026
   2    4    5    9    179.974
   8    4    5    6    179.974
   8    4    5    9      0.026
   2    4    8   12    179.974
   2    4    8   19      0.026
   5    4    8   12      0.026
   5    4    8   19    179.974
   4    5    6    3      0.026
   4    5    6   18    179.974
   9    5    6    3    179.974
   9    5    6   18      0.026
   4    5    9   13      0.026
   4    5    9   20    179.974
   6    5    9   13    179.974
   6    5    9   20      0.026
   3    7   10   14    179.974
   3    7   10   21      0.026
  11    7   10   14      0.026
  11    7   10   21    179.974
   3    7   11   15    179.974
   3    7   11   22      0.026
  10    7   11   15      0.026
  10    7   11   22    179.974
   4    8   12   13      0.026
   4    8   12   23    179.974
  19    8   12   13    179.974
  19    8   12   23      0.026
   5    9   13   12      0.026
   5    9   13   24    179.974
  20    9   13   12    179.974
  20    9   13   24      0.026
   7   10   14   16      0.026
   7   10   14   25    179.974
  21   10   14   16    179.974
  21   10   14   25      0.026
   7   11   15   16      0.026
   7   11   15   26    179.974
  22   11   15   16    179.974
  22   11   15   26      0.026
   8   12   13    9      0.026
   8   12   13   24    179.974
  23   12   13    9    179.974
  23   12   13   24      0.026
  10   14   16    1    179.974
  10   14   16   15      0.026
  25   14   16    1      0.026
  25   14   16   15    179.974
  11   15   16    1    179.974
  11   15   16   14      0.026
  26   15   16    1      0.026
  26   15   16   14    179.974