Mrv1572004191601182D          

  6  5  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
    0.1105   -1.2375    0.0000 Cl  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 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  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004356

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2

> <INCHI_KEY>
SKDFWEPBABSFMG-UHFFFAOYSA-N

> <FORMULA>
C2H2Cl2F2

> <MOLECULAR_WEIGHT>
134.93

> <EXACT_MASS>
133.9501618

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
8.648941467370676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.08

> <JCHEM_LOGP>
1.9977976199999998

> <ALOGPS_LOGS>
-1.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
21.597199999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.27e+00 g/l

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

> <JCHEM_VEBER_RULE>
1

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

> <CAS>
1649-08-7

> <SYNONYMS>
HCFC-132b

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