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
    1.5395   -1.2375    0.0000 Cl  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  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004217

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
OHMHBGPWCHTMQE-UHFFFAOYSA-N

> <FORMULA>
C2HCl2F3

> <MOLECULAR_WEIGHT>
152.93

> <EXACT_MASS>
151.9407399

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
8.719115041770035

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.49

> <JCHEM_LOGP>
2.4598112873333333

> <ALOGPS_LOGS>
-1.44

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
21.816499999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.55e+00 g/l

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

> <JCHEM_VEBER_RULE>
1

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

> <CAS>
306-83-2

> <SYNONYMS>
1,1,1-Trifluoro-2,2-Dichloroethane; Dichlorotrifluoroethane; HCFC-123

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