Mrv1572004191601102D          

  6  5  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
    0.0000    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
   -0.4125   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
M  END
> <DATABASE_ID>
CHEM004056

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2ClF3/c3-1(4)2(5)6

> <INCHI_KEY>
UUAGAQFQZIEFAH-UHFFFAOYSA-N

> <FORMULA>
C2ClF3

> <MOLECULAR_WEIGHT>
116.47

> <EXACT_MASS>
115.9640622

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.801732257391794

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-chloro-1,2,2-trifluoroethene

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
1.7526979463333334

> <ALOGPS_LOGS>
-3.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
36.870000000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.25e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorotrifluoroethylene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ethene, chlorotrifluoro-

> <CAS>
79-38-9

> <SYNONYMS>
chlorotrifluoroethylene; Chlorotrifluoroethylene; Ethene, chlorotrifluoro-, homopolymer; Tetrafluoroethylene chlorotrifluoroethylene copolymer (generic); Trifluorochloroethylene

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