Mrv1572004191601092D          

  5  4  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 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  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004018

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(F)(F)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3

> <INCHI_KEY>
BHNZEZWIUMJCGF-UHFFFAOYSA-N

> <FORMULA>
C2H3ClF2

> <MOLECULAR_WEIGHT>
100.49

> <EXACT_MASS>
99.9891341

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
6.570816422721338

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-chloro-1,1-difluoroethane

> <ALOGPS_LOGP>
1.68

> <JCHEM_LOGP>
1.6625786046666664

> <ALOGPS_LOGS>
-0.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
16.5477

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.14e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-chloro-1,1-difluoroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-Chloro-1,1-difluoroethane

> <CAS>
75-68-3

> <SYNONYMS>
Ethane, 1-chloro-1,1-difluoro-; HCFC-142b

$$$$