Mrv1572004191601082D          

  4  3  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    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
M  END
> <DATABASE_ID>
CHEM004013

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CHClF2/c2-1(3)4/h1H

> <INCHI_KEY>
VOPWNXZWBYDODV-UHFFFAOYSA-N

> <FORMULA>
CHClF2

> <MOLECULAR_WEIGHT>
86.47

> <EXACT_MASS>
85.9734841

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
4.684797221980022

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chlorodifluoromethane

> <ALOGPS_LOGP>
0.98

> <JCHEM_LOGP>
1.4119273223333333

> <ALOGPS_LOGS>
-0.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
11.697699999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.76e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorodifluoromethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chlorodifluoromethane

> <CAS>
75-45-6

> <SYNONYMS>
HCFC-22; Methane, chlorodifluoro-

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