Mrv1572004191601182D          

  6  5  0  0  0  0            999 V2000
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004358

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)(F)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2

> <INCHI_KEY>
FDMFUZHCIRHGRG-UHFFFAOYSA-N

> <FORMULA>
C3H3F3

> <MOLECULAR_WEIGHT>
96.052

> <EXACT_MASS>
96.018684586

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
5.819860141376346

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,3-trifluoroprop-1-ene

> <ALOGPS_LOGP>
1.68

> <JCHEM_LOGP>
1.8578710036666664

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
16.581799999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,3-trifluoro-1-propene

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1-Dichloro-1-fluoroethane

> <CAS>
1717-00-6

> <SYNONYMS>
1,1-Dichlorofluoroethane; 3,3,3-Trifluoro-1-propene; Ethane, 1,1-dichloro-1-fluoro-; HCFC-141b

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