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2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate ID: AN-30921
CAS:164298-27-5
Supplier:AN PharmaTech Co Ltd

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SMILES:[P-](F)(F)(F)(F)(F)F.FC1=[N+](CCN1C)C	10945225
FORMULA: C5H10F7N2P
MASS: 262.1089
EXACT MASS: 262.0469825
INTERATOMIC DISTANCES

              P   1      F   2      F   3      F   4      F   5      F   6
              ------------------------------------------------------------------
   P   1    0.0000 
   F   2    2.8856     0.0000 
   F   3    1.0000     3.8245     0.0000 
   F   4    1.0000     2.0067     2.0000     0.0000 
   F   5    1.0000     2.1677     1.7320     1.0000     0.0000 
   F   6    1.0000     2.9419     1.7320     1.0000     1.7320     0.0000 
   F   7    1.0000     3.1621     1.0000     1.7320     1.0000     2.0000 
   F   8    1.0000     3.7356     1.0000     1.7320     2.0000     1.0000 
   N   9    4.6668     1.7820     5.6041     3.7618     3.9219     4.6421 
   N  10    4.2283     1.7820     5.0101     3.5576     3.2876     4.5527 
   C  11    5.4352     2.5876     6.3231     4.5935     4.5994     5.5215 
   C  12    5.2087     2.5876     6.0071     4.4918     4.2812     5.4753 
   C  13    3.8172     1.0000     4.7126     2.9888     2.9978     3.9392 
   C  14    4.8998     2.1756     5.8852     3.9219     4.3140     4.6668 
   C  15    3.9400     2.1756     4.5737     3.4826     2.9431     4.4710 
   H  16    6.0057     3.1853     6.8730     5.1865     5.1428     6.1253 
   H  17    5.7727     2.8881     6.6962     4.8795     4.9937     5.7616 
   H  18    5.2906     2.8881     6.0180     4.6653     4.3225     5.6632 
   H  19    5.8284     3.1853     6.6216     5.1083     4.8978     6.0891 
   H  20    5.4890     2.7019     6.4676     4.5197     4.8639     5.2820 
   H  21    5.1376     2.5891     6.1353     4.1410     4.6494     4.7880 
   H  22    4.3193     1.7132     5.3112     3.3321     3.7858     4.0530 
   H  23    3.3309     1.7131     3.9982     2.8643     2.3381     3.8513 
   H  24    3.8817     2.5890     4.3966     3.5784     2.8871     4.5318 
   H  25    4.5520     2.7018     5.1595     4.1014     3.5533     5.0908 

              F   7      F   8      N   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   F   7    0.0000 
   F   8    1.7320     0.0000 
   N   9    4.8998     5.4933     0.0000 
   N  10    4.1268     5.1913     1.6180     0.0000 
   C  11    5.5313     6.3188     1.0000     1.6180     0.0000 
   C  12    5.1267     6.1590     1.6180     1.0000     0.9999     0.0000 
   C  13    3.9528     4.7069     1.0000     0.9999     1.6180     1.6180 
   C  14    5.3139     5.6041     1.0000     2.5876     1.7820     2.5876 
   C  15    3.6135     4.9381     2.5877     1.0001     2.5876     1.7821 
   H  16    6.0513     6.9057     1.6116     2.0014     0.6200     1.1201 
   H  17    5.9542     6.6114     1.1202     2.1989     0.6201     1.6116 
   H  18    5.0901     6.2688     2.1989     1.1202     1.6116     0.6200 
   H  19    5.7327     6.7788     2.0014     1.6116     1.1202     0.6200 
   H  20    5.8616     6.2129     1.1766     2.7749     1.5990     2.5416 
   H  21    5.6448     5.7595     1.6200     3.1981     2.3514     3.1981 
   H  22    4.7839     4.9980     1.1766     2.5416     2.1362     2.7749 
   H  23    3.0590     4.3270     2.5417     1.1766     2.7749     2.1362 
   H  24    3.4056     4.8785     3.1981     1.6200     3.1981     2.3513 
   H  25    4.1863     5.5512     2.7749     1.1767     2.5417     1.5990 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7820     0.0000 
   C  15    1.7820     3.5202     0.0000 
   H  16    2.1989     2.2972     2.8881     0.0000 
   H  17    2.0014     1.5350     3.1854     0.8298     0.0000 
   H  18    2.0014     3.1853     1.5351     1.6169     2.2129     0.0000 
   H  19    2.1989     2.8881     2.2972     0.8704     1.6170     0.8296 
   H  20    2.1362     0.6200     3.7583     1.9890     1.1633     3.1608 
   H  21    2.3514     0.6200     4.1143     2.8184     2.0109     3.8004 
   H  22    1.5990     0.6200     3.3804     2.7143     2.0318     3.3272 
   H  23    1.5990     3.3804     0.6201     3.1776     3.3272     2.0319 
   H  24    2.3513     4.1142     0.6199     3.4689     3.8004     2.0109 
   H  25    2.1362     3.7583     0.6200     2.7117     3.1609     1.1634 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.7118     0.0000 
   H  21    3.4690     0.8768     0.0000 
   H  22    3.1777     1.2400     0.8768     0.0000 
   H  23    2.7142     3.7124     3.9384     3.1369     0.0000 
   H  24    2.8183     4.3717     4.6994     3.9383     0.8768     0.0000 
   H  25    1.9889     3.9033     4.3718     3.7125     1.2400     0.8768 

              H  25
              -----------
   H  25    0.0000 



ATOMIC CHARGES
   P   1    0.5288165694
   F   2   -0.1218120196
   F   3   -0.2548027616
   F   4   -0.2548027616
   F   5   -0.2548027616
   F   6   -0.2548027616
   F   7   -0.2548027616
   F   8   -0.2548027616
   N   9   -0.1911650863
   N  10   -0.2494335851
   C  11    0.1645660442
   C  12    0.0783810086
   C  13    0.4317881672
   C  14    0.1390770689
   C  15    0.0082620325
   H  16    0.1043263194
   H  17    0.1043263194
   H  18    0.0528665591
   H  19    0.0528665591
   H  20    0.0989677022
   H  21    0.0989677022
   H  22    0.0989677022
   H  23    0.0430158354
   H  24    0.0430158354
   H  25    0.0430158354


BOND ANGLES
   3    1    4    F    P    F    179.974
   3    1    5    F    P    F    119.999
   3    1    6    F    P    F    120.001
   3    1    7    F    P    F     59.999
   3    1    8    F    P    F     60.001
   4    1    5    F    P    F     60.001
   4    1    6    F    P    F     59.999
   4    1    7    F    P    F    120.001
   4    1    8    F    P    F    119.999
   5    1    6    F    P    F    120.001
   5    1    7    F    P    F     59.999
   5    1    8    F    P    F    179.974
   6    1    7    F    P    F    179.974
   6    1    8    F    P    F     59.999
   7    1    8    F    P    F    120.001
  11    9   13   C3   N2   C2    107.997
  11    9   14   C3   N2   C3    126.001
  13    9   14   C2   N2   C3    126.001
  12   10   13   C3  Npl   C2    108.000
  12   10   15   C3  Npl   C3    125.998
  13   10   15   C2  Npl   C3    126.002
   9   11   12   N2   C3   C3    108.001
   9   11   16   N2   C3   HC    168.001
   9   11   17   N2   C3   HC     83.996
  12   11   16   C3   C3   HC     83.998
  12   11   17   C3   C3   HC    168.003
  16   11   17   HC   C3   HC     84.005
  10   12   11  Npl   C3   C3    108.000
  10   12   18  Npl   C3   HC     84.001
  10   12   19  Npl   C3   HC    167.990
  11   12   18   C3   C3   HC    167.999
  11   12   19   C3   C3   HC     84.009
  18   12   19   HC   C3   HC     83.990
   2   13    9    F   C2   N2    126.000
   2   13   10    F   C2  Npl    125.998
   9   13   10   N2   C2  Npl    108.001
   9   14   20   N2   C3   HC     90.000
   9   14   21   N2   C3   HC    179.974
   9   14   22   N2   C3   HC     90.000
  20   14   21   HC   C3   HC     90.000
  20   14   22   HC   C3   HC    179.974
  21   14   22   HC   C3   HC     90.000
  10   15   23  Npl   C3   HC     89.993
  10   15   24  Npl   C3   HC    179.974
  10   15   25  Npl   C3   HC     90.000
  23   15   24   HC   C3   HC     90.002
  23   15   25   HC   C3   HC    179.974
  24   15   25   HC   C3   HC     90.005


TORSION ANGLES
  13    9   11   12      0.026
  13    9   11   16    179.974
  13    9   11   17    179.974
  14    9   11   12    179.974
  14    9   11   16      0.026
  14    9   11   17      0.026
  11    9   13    2    179.974
  11    9   13   10      0.026
  14    9   13    2      0.026
  14    9   13   10    179.974
  11    9   14   20      0.026
  11    9   14   21    180.000
  11    9   14   22    179.974
  13    9   14   20    179.974
  13    9   14   21    180.000
  13    9   14   22      0.026
  13   10   12   11      0.026
  13   10   12   18    179.974
  13   10   12   19    179.974
  15   10   12   11    179.974
  15   10   12   18      0.026
  15   10   12   19      0.026
  12   10   13    2    179.974
  12   10   13    9      0.026
  15   10   13    2      0.026
  15   10   13    9    179.974
  12   10   15   23    179.974
  12   10   15   24    179.974
  12   10   15   25      0.026
  13   10   15   23      0.026
  13   10   15   24      0.026
  13   10   15   25    179.974
   9   11   12   10      0.026
   9   11   12   18    179.974
   9   11   12   19    179.974
  16   11   12   10    179.974
  16   11   12   18      0.026
  16   11   12   19      0.026
  17   11   12   10    179.974
  17   11   12   18      0.026
  17   11   12   19      0.026