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[dimethylamino(fluoro)methylene]-dimethyl-ammonium hexafluorophosphate
[dimethylamino(fluoro)methylene]-dimethyl-ammonium hexafluorophosphate ID: AN-30920
CAS:164298-23-1
Supplier:AN PharmaTech Co Ltd

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SMILES:[P-](F)(F)(F)(F)(F)F.FC(=[N+](C)C)N(C)C	2774761
FORMULA: C5H12F7N2P
MASS: 264.1248
EXACT MASS: 264.0626326
INTERATOMIC DISTANCES

              P   1      F   2      F   3      F   4      F   5      F   6
              ------------------------------------------------------------------
   P   1    0.0000 
   F   2    1.0000     0.0000 
   F   3    1.0000     2.0000     0.0000 
   F   4    1.0000     1.7320     1.0000     0.0000 
   F   5    1.0000     1.7320     1.0000     1.7320     0.0000 
   F   6    1.0000     1.0000     1.7320     1.0000     2.0000     0.0000 
   F   7    1.0000     1.0000     1.7320     2.0000     1.0000     1.7320 
   F   8    3.0000     2.6457     3.6055     2.6457     4.0000     2.0000 
   N   9    4.5826     4.0000     5.2915     4.3589     5.5678     3.6055 
   N  10    4.5826     4.3589     5.0000     4.0000     5.5678     3.6055 
   C  11    4.0000     3.6055     4.5826     3.6055     5.0000     3.0000 
   C  12    4.3589     3.6055     5.1961     4.3589     5.2915     3.4641 
   C  13    5.5678     5.0000     6.2450     5.2915     6.5574     4.5826 
   C  14    4.3589     4.3589     4.5826     3.6056     5.2915     3.4641 
   C  15    5.5678     5.2915     6.0000     5.0000     6.5574     4.5826 
   H  16    3.7437     3.0148     4.5761     3.7436     4.6842     2.8441 
   H  17    4.3318     3.4849     5.2330     4.4726     5.2100     3.5192 
   H  18    4.9753     4.2047     5.8161     4.9752     5.9014     4.0840 
   H  19    5.6972     5.0383     6.4445     5.5256     6.6677     4.7390 
   H  20    6.1810     5.6200     6.8428     5.8808     7.1725     5.1927 
   H  21    5.5055     5.0383     6.1022     5.1222     6.5047     4.5067 
   H  22    5.5055     5.1222     6.0319     5.0383     6.5047     4.5067 
   H  23    6.1810     5.8808     6.6200     5.6200     7.1725     5.1927 
   H  24    5.6972     5.5256     6.0319     5.0383     6.6677     4.7390 
   H  25    4.9753     4.9753     5.1724     4.2047     5.9015     4.0841 
   H  26    4.3318     4.4726     4.4187     3.4849     5.2100     3.5192 
   H  27    3.7437     3.7437     4.0019     3.0148     4.6842     2.8442 

              F   7      F   8      N   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   F   7    0.0000 
   F   8    3.6055     0.0000 
   N   9    5.0000     1.7320     0.0000 
   N  10    5.2915     1.7320     1.7320     0.0000 
   C  11    4.5826     1.0000     1.0000     1.0000     0.0000 
   C  12    4.5826     2.0000     1.0000     2.6457     1.7320     0.0000 
   C  13    6.0000     2.6457     1.0000     2.0000     1.7320     1.7320 
   C  14    5.1962     2.0000     2.6458     1.0001     1.7321     3.4641 
   C  15    6.2450     2.6457     2.0000     1.0000     1.7320     2.9999 
   H  16    4.0019     1.4955     1.1766     2.5120     1.5200     0.6200 
   H  17    4.4187     2.3716     1.6200     3.2380     2.2901     0.6201 
   H  18    5.1724     2.5557     1.1766     2.9082     2.1114     0.6200 
   H  19    6.0319     2.9083     1.1766     2.5558     2.1114     1.5200 
   H  20    6.6200     3.2380     1.6200     2.3715     2.2901     2.2901 
   H  21    6.0319     2.5121     1.1766     1.4955     1.5200     2.1114 
   H  22    6.1022     2.5121     1.4955     1.1766     1.5200     2.4824 
   H  23    6.8428     3.2380     2.3715     1.6200     2.2901     3.3532 
   H  24    6.4445     2.9083     2.5558     1.1766     2.1114     3.5504 
   H  25    5.8161     2.5558     2.9083     1.1767     2.1115     3.8121 
   H  26    5.2330     2.3716     3.2380     1.6200     2.2901     4.0130 
   H  27    4.5762     1.4956     2.5121     1.1766     1.5201     3.1995 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.0000     0.0000 
   C  15    1.7320     1.7321     0.0000 
   H  16    2.1114     3.1995     3.0633     0.0000 
   H  17    2.2901     4.0131     3.6200     0.8769     0.0000 
   H  18    1.5200     3.8121     3.0633     1.2399     0.8768     0.0000 
   H  19    0.6200     3.5505     2.3520     2.0379     1.9721     1.1121 
   H  20    0.6200     3.3533     1.8396     2.7145     2.8059     1.9721 
   H  21    0.6200     2.4825     1.1120     2.3520     2.7145     2.0379 
   H  22    1.1120     2.1115     0.6200     2.6327     3.0986     2.4824 
   H  23    1.8396     2.2901     0.6200     3.5063     3.9665     3.3110 
   H  24    2.3520     1.5201     0.6200     3.5504     4.1685     3.6571 
   H  25    3.0634     0.6200     1.5201     3.6267     4.3935     4.0841 
   H  26    3.6200     0.6200     2.2901     3.6980     4.5380     4.3934 
   H  27    3.0634     0.6200     2.1114     2.8441     3.6981     3.6267 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    1.2400     0.8768     0.0000 
   H  22    1.7320     1.2732     0.4920     0.0000 
   H  23    2.4323     1.7320     1.2732     0.8768     0.0000 
   H  24    2.9720     2.4323     1.7320     1.2400     0.8768     0.0000 
   H  25    3.6572     3.3111     2.4825     2.0380     1.9722     1.1121 
   H  26    4.1685     3.9665     3.0986     2.7145     2.8059     1.9721 
   H  27    3.5505     3.5064     2.6328     2.3521     2.7145     2.0379 

              H  25      H  26      H  27
              ---------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    1.2399     0.8768     0.0000 



ATOMIC CHARGES
   P   1    0.5288165694
   F   2   -0.2548027616
   F   3   -0.2548027616
   F   4   -0.2548027616
   F   5   -0.2548027616
   F   6   -0.2548027616
   F   7   -0.2548027616
   F   8   -0.1218260334
   N   9   -0.1953942919
   N  10   -0.2585188237
   C  11    0.4310815140
   C  12    0.1387416550
   C  13    0.1387416550
   C  14    0.0077102932
   C  15    0.0077102932
   H  16    0.0989568834
   H  17    0.0989568834
   H  18    0.0989568834
   H  19    0.0989568834
   H  20    0.0989568834
   H  21    0.0989568834
   H  22    0.0430020731
   H  23    0.0430020731
   H  24    0.0430020731
   H  25    0.0430020731
   H  26    0.0430020731
   H  27    0.0430020731


BOND ANGLES
   2    1    3    F    P    F    179.974
   2    1    4    F    P    F    119.999
   2    1    5    F    P    F    120.001
   2    1    6    F    P    F     59.999
   2    1    7    F    P    F     60.001
   3    1    4    F    P    F     60.001
   3    1    5    F    P    F     59.999
   3    1    6    F    P    F    120.001
   3    1    7    F    P    F    119.999
   4    1    5    F    P    F    120.001
   4    1    6    F    P    F     59.999
   4    1    7    F    P    F    179.974
   5    1    6    F    P    F    179.974
   5    1    7    F    P    F     59.999
   6    1    7    F    P    F    120.001
  11    9   12   C2   N2   C3    119.999
  11    9   13   C2   N2   C3    120.001
  12    9   13   C3   N2   C3    120.001
  11   10   14   C2  Npl   C3    120.001
  11   10   15   C2  Npl   C3    120.001
  14   10   15   C3  Npl   C3    119.998
   8   11    9    F   C2   N2    120.001
   8   11   10    F   C2  Npl    120.001
   9   11   10   N2   C2  Npl    119.999
   9   12   16   N2   C3   HC     89.999
   9   12   17   N2   C3   HC    179.974
   9   12   18   N2   C3   HC     90.001
  16   12   17   HC   C3   HC     90.005
  16   12   18   HC   C3   HC    179.974
  17   12   18   HC   C3   HC     89.995
   9   13   19   N2   C3   HC     90.000
   9   13   20   N2   C3   HC    179.974
   9   13   21   N2   C3   HC     90.000
  19   13   20   HC   C3   HC     90.000
  19   13   21   HC   C3   HC    179.974
  20   13   21   HC   C3   HC     90.000
  10   14   25  Npl   C3   HC     90.004
  10   14   26  Npl   C3   HC    179.974
  10   14   27  Npl   C3   HC     89.996
  25   14   26   HC   C3   HC     90.000
  25   14   27   HC   C3   HC    179.974
  26   14   27   HC   C3   HC     90.000
  10   15   22  Npl   C3   HC     90.000
  10   15   23  Npl   C3   HC    179.974
  10   15   24  Npl   C3   HC     90.000
  22   15   23   HC   C3   HC     90.000
  22   15   24   HC   C3   HC    179.974
  23   15   24   HC   C3   HC     90.000


TORSION ANGLES
  12    9   11    8      0.026
  12    9   11   10    179.974
  13    9   11    8    179.974
  13    9   11   10      0.026
  11    9   12   16      0.026
  11    9   12   17    179.974
  11    9   12   18    179.974
  13    9   12   16    179.974
  13    9   12   17      0.026
  13    9   12   18      0.026
  11    9   13   19    179.974
  11    9   13   20    180.000
  11    9   13   21      0.026
  12    9   13   19      0.026
  12    9   13   20    180.000
  12    9   13   21    179.974
  14   10   11    8      0.026
  14   10   11    9    179.974
  15   10   11    8    179.974
  15   10   11    9      0.026
  11   10   14   25    179.974
  11   10   14   26      0.026
  11   10   14   27      0.026
  15   10   14   25      0.026
  15   10   14   26    179.974
  15   10   14   27    179.974
  11   10   15   22      0.026
  11   10   15   23    180.000
  11   10   15   24    179.974
  14   10   15   22    179.974
  14   10   15   23    180.000
  14   10   15   24      0.026