Mrv1572004191601172D          

  7  6  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    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  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004306

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H

> <INCHI_KEY>
AFTSHZRGGNMLHC-UHFFFAOYSA-N

> <FORMULA>
C2HCl2F3

> <MOLECULAR_WEIGHT>
152.93

> <EXACT_MASS>
151.9407399

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
8.6550247118238

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1-dichloro-1,2,2-trifluoroethane

> <ALOGPS_LOGP>
2.40

> <JCHEM_LOGP>
2.006330116

> <ALOGPS_LOGS>
-1.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
21.649100000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1-dichloro-1,2,2-trifluoroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1-Dichloro-1,2,2-trifluoroethane

> <CAS>
812-04-4

> <SYNONYMS>
HCFC-123b

$$$$