68030
  -OEChem-10051722593D

 11 10  0     0  0  0  0  0  0999 V2000
    1.1068   -1.2303    0.3894 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    0.1199   -1.3150 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1341    0.6779    0.6282 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -1.1956    0.0972 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5325    0.7271    0.0972 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070    0.7383    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0961    0.0666    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3979    0.0962   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3430    0.6842    1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676    1.8016    0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346    0.1319   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13117

> <DATABASE_NAME>
drugbank

> <ORIGINAL_SOURCE>
PUBCHEM

> <ORIGINAL_SOURCE_URL>
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MSSNHSVIGIHOJA-UHFFFAOYSA-N/SDF?record_type=3d

> <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

$$$$