Mrv0541 05061305512D          

 12 12  0  0  0  0            999 V2000
    0.9958    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    0.8435    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992   -0.0186    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435    1.6992    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186    1.6992    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8435   -0.8742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186   -0.8742    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742    0.8435    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742   -0.0186    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
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM006946

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10

> <INCHI_KEY>
BCCOBQSFUDVTJQ-UHFFFAOYSA-N

> <FORMULA>
C4F8

> <MOLECULAR_WEIGHT>
200.03

> <EXACT_MASS>
199.98722564

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.36272978969321

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octafluorocyclobutane

> <ALOGPS_LOGP>
2.98

> <JCHEM_LOGP>
2.8025708573333334

> <ALOGPS_LOGS>
-3.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
18.672000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octafluorocyclobutane

> <JCHEM_VEBER_RULE>
1

> <NAME>
OCTAFLUOROCYCLOBUTANE

> <CAS>
115-25-3

> <SYNONYMS>
freon 318; Perfluorocyclobutane

> <TYPES>
PFAS

$$$$