Mrv1718010261719592D          

  5  4  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 F   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01542

> <DATABASE_NAME>
drugbank

> <SMILES>
FC(F)=CCl

> <INCHI_IDENTIFIER>
InChI=1S/C2HClF2/c3-1-2(4)5/h1H

> <INCHI_KEY>
HTHNTJCVPNKCPZ-UHFFFAOYSA-N

> <FORMULA>
C2HClF2

> <MOLECULAR_WEIGHT>
98.48

> <EXACT_MASS>
97.9734841

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
5.752973301066463

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
1.70

> <JCHEM_LOGP>
1.6031563346666666

> <ALOGPS_LOGS>
-1.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.907

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloro-1,1-difluoroethylene

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET01542

> <NAME>
2-chloro-1,1-difluoroethene

> <UNII>
QGF1P560AW

$$$$