Mrv1572004191603292D          

  5  4  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
    0.8250    0.0000    0.0000 C   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  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012299

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H3F3/c1-2(3,4)5/h1H3

> <INCHI_KEY>
UJPMYEOUBPIPHQ-UHFFFAOYSA-N

> <FORMULA>
C2H3F3

> <MOLECULAR_WEIGHT>
84.041

> <EXACT_MASS>
84.018684586

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
4.765529116494642

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1-trifluoroethane

> <ALOGPS_LOGP>
0.94

> <JCHEM_LOGP>
1.4558920089999998

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
11.712899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.55e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1-trifluoroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1,1-Trifluoroethane

> <CAS>
420-46-2

> <SYNONYMS>
Ethane, 1,1,1-trifluoro-

$$$$