Mrv1572004191601152D          

 10  9  0  0  0  0            999 V2000
    0.8250   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.1105   -2.0625    0.0000 Cl  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
    1.5395   -2.0625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004246

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
UJIGKESMIPTWJH-UHFFFAOYSA-N

> <FORMULA>
C3HCl2F5

> <MOLECULAR_WEIGHT>
202.93

> <EXACT_MASS>
201.9375462

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.756368884085662

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
3.13

> <JCHEM_LOGP>
2.933713416

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.400800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.78e-01 g/l

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

> <JCHEM_VEBER_RULE>
1

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

> <CAS>
507-55-1

> <SYNONYMS>
1,3-Dichloro-1,2,2,3,3-Pentafluoropropane; HCFC-225cb

$$$$