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
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    1.2375    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  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004228

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H

> <INCHI_KEY>
JQZFYIGAYWLRCC-UHFFFAOYSA-N

> <FORMULA>
C2HClF4

> <MOLECULAR_WEIGHT>
136.47

> <EXACT_MASS>
135.9702904

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
6.761392141276648

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.27

> <JCHEM_LOGP>
1.7996435203333334

> <ALOGPS_LOGS>
-1.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.575089606084802

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
16.8143

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.62e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-chloro-1,1,2,2-tetrafluoroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-Chloro-1,1,2,2-tetrafluoroethane

> <CAS>
354-25-6

> <SYNONYMS>
HCFC-124a

$$$$