Mrv1572004191603382D          

 13 13  0  0  0  0            999 V2000
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -0.9748    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5949   -0.4987    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.8330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    1.8330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    0.4663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    1.2366    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012809

> <DATABASE_NAME>
chemdb

> <SMILES>
FC1=C(F)C(F)(F)C(F)(F)C1(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9

> <INCHI_KEY>
YBMDPYAEZDJWNY-UHFFFAOYSA-N

> <FORMULA>
C5F8

> <MOLECULAR_WEIGHT>
212.042

> <EXACT_MASS>
211.987225304

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
9.291530108032156

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octafluorocyclopent-1-ene

> <ALOGPS_LOGP>
2.24

> <JCHEM_LOGP>
2.1799845343333333

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
24.57820000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.54e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cyclopentene, octafluoro-

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,2,3,3,4,4,5,5-Octafluorocyclopentene

> <CAS>
559-40-0

$$$$