Mrv1572004191601282D          

 10  9  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
    0.1105   -1.2375    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
   -0.6039   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5230   -1.9520    0.0000 Cl  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
   -0.3020   -0.5230    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    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  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004563

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H

> <INCHI_KEY>
YERASKROMPMIBM-UHFFFAOYSA-N

> <FORMULA>
C3HCl2F5

> <MOLECULAR_WEIGHT>
202.93

> <EXACT_MASS>
201.9375462

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.766000380141948

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1-dichloro-1,2,3,3,3-pentafluoropropane

> <ALOGPS_LOGP>
2.93

> <JCHEM_LOGP>
2.755847440666667

> <ALOGPS_LOGS>
-2.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.120640118167533

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.809199999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.47e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1-dichloro-1,2,3,3,3-pentafluoropropane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1-Dichloro-1,2,3,3,3-pentafluoropropane

> <CAS>
111512-56-2

> <SYNONYMS>
HCFC-225eb

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