Mrv1572004191603292D          

 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
    0.8250    0.0000    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   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012304

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3HCl3F4/c4-3(5,6)2(9,10)1(7)8/h1H

> <INCHI_KEY>
LJPLFJPOUHWADA-UHFFFAOYSA-N

> <FORMULA>
C3HCl3F4

> <MOLECULAR_WEIGHT>
219.38

> <EXACT_MASS>
217.9079958

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
12.60625232543187

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1-trichloro-2,2,3,3-tetrafluoropropane

> <ALOGPS_LOGP>
3.39

> <JCHEM_LOGP>
2.9136594259999997

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
31.151900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1-trichloro-2,2,3,3-tetrafluoropropane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Propane, 1,1,1-trichloro-2,2,3,3-tetrafluoro-

> <CAS>
422-51-5

$$$$