Mrv1572004191603312D          

  8  7  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13117

> <DATABASE_NAME>
drugbank

> <SMILES>
FC(F)CC(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2

> <INCHI_KEY>
MSSNHSVIGIHOJA-UHFFFAOYSA-N

> <FORMULA>
C3H3F5

> <MOLECULAR_WEIGHT>
134.049

> <EXACT_MASS>
134.015490912

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
6.847664026804269

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1,3,3-pentafluoropropane

> <ALOGPS_LOGP>
1.52

> <JCHEM_LOGP>
1.488403719

> <ALOGPS_LOGS>
-1.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
16.4313

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hfc-245fa

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13117

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Pentafluoropropane

> <SYNONYMS>
1,1,1,3,3-pentafluoropropane

$$$$