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3,3-difluoropyrrolidine hydrochloride
3,3-difluoropyrrolidine hydrochloride ID: AN-9862
CAS:163457-23-6
Supplier:AN PharmaTech Co Ltd

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SMILES:Cl.FC1(F)CCNC1	24903482
FORMULA: C4H8ClF2N
MASS: 143.5628
EXACT MASS: 143.0313334
INTERATOMIC DISTANCES

             Cl   1      F   2      F   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   F   2    3.3191     0.0000 
   F   3    2.5003     1.1756     0.0000 
   N   4    5.0674     2.3495     2.5876     0.0000 
   C   5    3.5002     1.0000     1.0000     1.6180     0.0000 
   C   6    3.6506     1.9754     1.4142     1.6180     1.0000     0.0000 
   C   7    4.4594     1.4142     1.9754     1.0000     1.0001     1.6181 
   C   8    4.6504     2.5876     2.3495     0.9999     1.6180     1.0000 
   H   9    3.0431     1.9111     1.0106     2.1989     1.1201     0.6200 
   H  10    3.7507     2.5638     1.8274     2.0013     1.6116     0.6199 
   H  11    5.0217     1.8274     2.5639     1.1203     1.6117     2.1990 
   H  12    4.2816     1.0107     1.9112     1.6117     1.1203     2.0015 
   H  13    4.6143     3.0008     2.5305     1.6116     2.0014     1.1202 
   H  14    5.2560     3.1360     2.9684     1.1202     2.1989     1.6116 
   H  15    5.6843     2.8628     3.1981     0.6200     2.2159     2.2159 
   H  16    1.0000     3.7206     2.6787     5.0599     3.6298     3.5002 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.6181     0.0000 
   H   9    2.0014     1.6117     0.0000 
   H  10    2.1990     1.1202     0.8298     0.0000 
   H  11    0.6200     2.0015     2.6163     2.7509     0.0000 
   H  12    0.6200     2.1990     2.2380     2.6163     0.8297     0.0000 
   H  13    2.1990     0.6200     1.6170     0.8704     2.6163     2.7509 
   H  14    2.0015     0.6200     2.2129     1.6169     2.2381     2.6163 
   H  15    1.4537     1.4536     2.8093     2.5412     1.3047     2.0058 
   H  16    4.6291     4.4646     2.8835     3.4321     5.2326     4.5834 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.8297     0.0000 
   H  15    2.0058     1.3047     0.0000 
   H  16    4.2971     5.0311     5.6776     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1453996612
   F   2   -0.2042357414
   F   3   -0.2042357414
   N   4   -0.3105533859
   C   5    0.2622299497
   C   6    0.0245452783
   C   7    0.0598177346
   C   8    0.0015486406
   H   9    0.0335387578
   H  10    0.0335387578
   H  11    0.0482532598
   H  12    0.0482532598
   H  13    0.0425852958
   H  14    0.0425852958
   H  15    0.1221286384
   H  16    0.1453996612


BOND ANGLES
   7    4    8   C3   N3   C3    108.010
   7    4   15   C3   N3   HC    125.993
   8    4   15   C3   N3   HC    125.997
   2    5    3    F   C3    F     72.002
   2    5    6    F   C3   C3    162.002
   2    5    7    F   C3   C3     89.995
   3    5    6    F   C3   C3     90.000
   3    5    7    F   C3   C3    161.996
   6    5    7   C3   C3   C3    108.004
   5    6    8   C3   C3   C3    107.998
   5    6    9   C3   C3   HC     83.991
   5    6   10   C3   C3   HC    167.999
   8    6    9   C3   C3   HC    168.010
   8    6   10   C3   C3   HC     84.002
   9    6   10   HC   C3   HC     84.008
   4    7    5   N3   C3   C3    107.990
   4    7   11   N3   C3   HC     84.008
   4    7   12   N3   C3   HC    168.009
   5    7   11   C3   C3   HC    168.002
   5    7   12   C3   C3   HC     84.002
  11    7   12   HC   C3   HC     84.000
   4    8    6   N3   C3   C3    107.998
   4    8   13   N3   C3   HC    168.005
   4    8   14   N3   C3   HC     84.005
   6    8   13   C3   C3   HC     83.996
   6    8   14   C3   C3   HC    167.997
  13    8   14   HC   C3   HC     84.000


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