Mrv1572004191601152D          

 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
    1.5395   -1.2375    0.0000 Cl  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 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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  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>
CHEM004234

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
XAHBEACGJQDUPF-UHFFFAOYSA-N

> <FORMULA>
C3HCl2F5

> <MOLECULAR_WEIGHT>
202.93

> <EXACT_MASS>
201.9375462

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.779223619163051

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.92

> <JCHEM_LOGP>
3.0126609269999998

> <ALOGPS_LOGS>
-2.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.261574335038432

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.717499999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.77e-01 g/l

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

> <JCHEM_VEBER_RULE>
1

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

> <CAS>
431-86-7

> <SYNONYMS>
Dichloropentafluoropropane; HCFC-225da

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