Mrv1572004191601152D          

  7  6  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
    0.8250    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  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004235

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)(F)CCCl

> <INCHI_IDENTIFIER>
InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2

> <INCHI_KEY>
ZPIFKCVYZBVZIV-UHFFFAOYSA-N

> <FORMULA>
C3H4ClF3

> <MOLECULAR_WEIGHT>
132.51

> <EXACT_MASS>
131.9953623

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
8.703659630643475

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
1.87

> <JCHEM_LOGP>
1.8736688873333334

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
21.214199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+01 g/l

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

> <JCHEM_VEBER_RULE>
1

> <NAME>
3-Chloro-1,1,1-trifluoropropane

> <CAS>
460-35-5

> <SYNONYMS>
HCFC-253fb; Propane, 3-chloro-1,1,1-trifluoro-

$$$$