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(3,4-Difluoro-phenyl)-piperidin-4-yl-methanone 1HCl salt
(3,4-Difluoro-phenyl)-piperidin-4-yl-methanone 1HCl salt ID: B204116
CAS:140235-26-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)C2CCNCC2)cc(c(cc1)F)F	
FORMULA: C12H13F2NO
MASS: 225.2345
EXACT MASS: 225.0965205
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6010     0.0000 
   C   3    0.6010     1.0416     0.0000 
   C   4    1.0375     1.5869     0.5975     0.0000 
   C   5    1.1985     1.7995     1.0378     0.6000     0.0000 
   N   6    2.1636     1.8000     2.0796     2.6150     3.1174     0.0000 
   C   7    0.6000     1.0398     1.0398     1.1985     1.0375     2.7498 
   O   8    1.1168     0.7325     1.6868     2.1502     2.1951     2.3133 
   C   9    1.0398     1.5890     1.2000     1.0378     0.5975     3.1757 
   C  10    1.0398     0.6000     1.2021     1.7995     2.1629     1.2000 
   F  11    1.5869     2.0791     1.0375     0.6010     1.0398     2.7500 
   F  12    1.7995     2.4006     1.5863     1.0398     0.6010     3.6500 
   C  13    1.8000     1.5878     1.5878     2.0776     2.6147     0.6010 
   C  14    2.0776     1.5865     2.1629     2.7469     3.1726     0.5975 
   C  15    1.2000     1.0398     1.0398     1.5863     2.0776     1.0398 
   C  16    1.5863     1.0378     1.7995     2.3970     2.7469     1.0378 

              C   7      O   8      C   9      C  10      F  11      F  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2009     0.0000 
   C   9    0.6010     1.7987     0.0000 
   C  10    1.5878     1.1923     2.0796     0.0000 
   F  11    1.7995     2.7023     1.5863     2.1639     0.0000 
   F  12    1.5869     2.7735     1.0375     2.7500     1.2000     0.0000 
   C  13    2.4000     2.2321     2.7498     1.0398     2.1629     3.1174 
   C  14    2.6147     1.9388     3.1174     1.0378     2.9980     3.7454 
   C  15    1.8000     1.7370     2.1636     0.6010     1.7995     2.6150 
   C  16    2.0776     1.3394     2.6150     0.5975     2.7474     3.3389 

              C  13      C  14      C  15      C  16
              --------------------------------------------
   C  13    0.0000 
   C  14    1.0375     0.0000 
   C  15    0.6000     1.1985     0.0000 
   C  16    1.1985     0.6000     1.0375     0.0000 



ATOMIC CHARGES
   C   1    0.0370672799
   C   2    0.1727768092
   C   3    0.0348037012
   C   4    0.1674724805
   C   5    0.1673843651
   N   6   -0.2180260841
   C   7    0.0052922435
   O   8   -0.2913490906
   C   9    0.0320558927
   C  10    0.0647918659
   F  11   -0.2017976305
   F  12   -0.2017988296
   C  13    0.0891408219
   C  14    0.0891408219
   C  15    0.0265226766
   C  16    0.0265226766


BOND ANGLES
   2    1    3   C2  Car  Car    120.113
   2    1    7   C2  Car  Car    119.944
   3    1    7  Car  Car  Car    119.944
   1    2    8  Car   C2   O2    113.382
   1    2   10  Car   C2   C3    119.944
   8    2   10   O2   C2   C3    126.674
   1    3    4  Car  Car  Car    119.917
   3    4   11  Car  Car    F    119.917
   3    4    5  Car  Car  Car    120.140
   5    4   11  Car  Car    F    119.944
   9    5   12  Car  Car    F    119.917
   4    5    9  Car  Car  Car    120.140
   4    5   12  Car  Car    F    119.944
  13    6   14   C3   N3   C3    119.917
   1    7    9  Car  Car  Car    119.944
   5    9    7  Car  Car  Car    119.917
   2   10   15   C2   C3   C3    119.944
   2   10   16   C2   C3   C3    120.140
  15   10   16   C3   C3   C3    119.917
   6   13   15   N3   C3   C3    119.944
   6   14   16   N3   C3   C3    120.140
  10   15   13   C3   C3   C3    119.944
  10   16   14   C3   C3   C3    120.140


TORSION ANGLES
   8    2    1    3    179.974
   8    2    1    7      0.026
  10    2    1    3      0.026
  10    2    1    7    179.974
   4    3    1    2    179.974
   4    3    1    7      0.026
  11    4    3    1    179.974
   5    4    3    1      0.026
  12    5    9    7    179.974
   4    5    9    7      0.026
  13    6   14   16      0.026
   9    7    1    2    179.974
   9    7    1    3      0.026
   5    9    7    1      0.026
  15   10    2    1      0.026
  15   10    2    8    179.974
  16   10    2    1    179.974
  16   10    2    8      0.026
   6   13   15   10      0.026
   6   14   16   10      0.026
  13   15   10    2    179.974
  13   15   10   16      0.026
  14   16   10    2    179.974
  14   16   10   15      0.026
   9    5    4    3      0.026
   9    5    4   11    179.974
  12    5    4    3    179.974
  12    5    4   11      0.026
  15   13    6   14      0.026