Mrv1572004191602512D          

  8  7  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
    0.1105   -2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 Cl  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  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009992

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H3Cl2F3/c4-2(5)1-3(6,7)8/h2H,1H2

> <INCHI_KEY>
PLTIOZOVDUUXDQ-UHFFFAOYSA-N

> <FORMULA>
C3H3Cl2F3

> <MOLECULAR_WEIGHT>
166.95

> <EXACT_MASS>
165.95639

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.637016431525732

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3-dichloro-1,1,1-trifluoropropane

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
2.2715025263333333

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
26.2683

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.67e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3-dichloro-1,1,1-trifluoropropane

> <JCHEM_VEBER_RULE>
1

> <NAME>
HCFC-243

> <CAS>
134237-43-7

$$$$