Mrv1572004221606012D          

 25 24  0  0  0  0            999 V2000
   -5.7646    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353    0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0501   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3356    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6211   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1922   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4777    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6657   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802    0.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0946   -0.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7023    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8953    0.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5628   -0.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1148    0.3069    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8091    0.0294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9406    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7031   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9406   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3531    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5281    0.0000    0.0000 P   0  5  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 15 14  2  0  0  0  0
 17  2  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 13  1  0  0  0  0
 18 15  1  0  0  0  0
 18 16  1  0  0  0  0
 25 19  1  0  0  0  0
 25 20  1  0  0  0  0
 25 21  1  0  0  0  0
 25 22  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  CHG  2  17   1  25  -1
M  END
> <DATABASE_ID>
CHEM019704

> <DATABASE_NAME>
chemdb

> <SMILES>
F[P-](F)(F)(F)(F)F.CCCCCCCCCCCCN1C=C[N+](C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H31N2.F6P/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;1-7(2,3,4,5)6/h14-16H,3-13H2,1-2H3;/q+1;-1

> <INCHI_KEY>
MPHALGYBTKGJEV-UHFFFAOYSA-N

> <FORMULA>
C16H31F6N2P

> <MOLECULAR_WEIGHT>
396.402

> <EXACT_MASS>
396.212904982

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
34.03856959422074

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-dodecyl-3-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide

> <ALOGPS_LOGP>
5.59

> <JCHEM_LOGP>
1.4105718735282546

> <ALOGPS_LOGS>
-6.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
8.809999999999999

> <JCHEM_REFRACTIVITY>
79.53429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.37e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-dodecyl-3-methylimidazolium hexafluorophosphate

> <JCHEM_VEBER_RULE>
0

> <NAME>
1-Dodecyl-3-methylimidazolium hexafluorophosphate

> <CAS>
219947-93-0

$$$$