Mrv1572004221606372D          

 15 14  0  0  0  0            999 V2000
    1.2329    2.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0935   -2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184    1.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184    1.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165   -1.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635   -0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085   -1.3850    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.1960   -0.1154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8258    0.0000    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
    3.8258   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8258    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0008    0.0000    0.0000 F   0  0  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
  7  6  2  0  0  0  0
  9  2  1  0  0  0  0
  9  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  1  0  0  0  0
M  CHG  2   9   1  11  -1
M  END
> <DATABASE_ID>
CHEM020321

> <DATABASE_NAME>
chemdb

> <SMILES>
F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1

> <INCHI_KEY>
LSBXQLQATZTAPE-UHFFFAOYSA-N

> <FORMULA>
C8H15BF4N2

> <MOLECULAR_WEIGHT>
226.03

> <EXACT_MASS>
226.126441

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
17.139396235144606

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-butyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

> <ALOGPS_LOGP>
3.32

> <JCHEM_LOGP>
-2.1459774464717456

> <ALOGPS_LOGS>
-5.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_POLAR_SURFACE_AREA>
8.809999999999999

> <JCHEM_REFRACTIVITY>
42.7263

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.62e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-butyl-3-methylimidazolium tetrafluoroborate

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-Butyl-3-methylimidazolium tetrafluoroborate

> <CAS>
174501-65-6

$$$$