Mrv1572004191601142D          

  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
    0.1105   -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
    1.5395   -1.2375    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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004227

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
YMRMDGSNYHCUCL-UHFFFAOYSA-N

> <FORMULA>
C2HCl2F3

> <MOLECULAR_WEIGHT>
152.93

> <EXACT_MASS>
151.9407399

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
8.706057337084832

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.39

> <JCHEM_LOGP>
2.2330707016666667

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
21.732799999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.68e+00 g/l

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

> <JCHEM_VEBER_RULE>
1

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

> <CAS>
354-23-4

> <SYNONYMS>
Dichloro-1,1,2-trifluoroethane; Ethane, 1,2-dichloro-1,1,2-trifluoro-; HCFC-123a

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