Mrv0541 05061305532D          

  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
    0.8250    0.0000    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 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
    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  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004033

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8

> <INCHI_KEY>
RFCAUADVODFSLZ-UHFFFAOYSA-N

> <FORMULA>
C2ClF5

> <MOLECULAR_WEIGHT>
154.466

> <EXACT_MASS>
153.960868732

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.861839332388766

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-chloro-1,1,2,2,2-pentafluoroethane

> <ALOGPS_LOGP>
2.41

> <JCHEM_LOGP>
2.2884040129999996

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
17.703999999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.65e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chloropentafluoroethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
CFC-115

> <CAS>
76-15-3

> <SYNONYMS>
Chloropentafluoroethane; CHLOROPENTAFLUOROETHANE; Ethane, 1-chloro-1,1,2,2,2-pentafluoro-; Monochloropentafluoroethane

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