Mrv1572004191604172D          

 13 13  0  0  0  0            999 V2000
    1.2352    0.6294    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
    0.9803   -0.1553    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
    1.7936    1.2366    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0439    0.4663    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
    1.7872   -0.3268    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940   -0.9757    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122    1.3438    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8534    0.2938    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 O   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  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
 13  3  1  0  0  0  0
 13  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015013

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4F8O/c5-1(6)2(7,8)4(11,12)13-3(1,9)10

> <INCHI_KEY>
UEOZRAZSBQVQKG-UHFFFAOYSA-N

> <FORMULA>
C4F8O

> <MOLECULAR_WEIGHT>
216.03

> <EXACT_MASS>
215.982139924

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
9.003221625492115

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octafluorooxolane

> <ALOGPS_LOGP>
3.12

> <JCHEM_LOGP>
3.050587315

> <ALOGPS_LOGS>
-3.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.041950123233334

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
21.5097

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octafluorooxolane

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,2,3,3,4,4,5,5-octafluorooxolane

> <CAS>
773-14-8

> <SYNONYMS>
Octafluorotetrahydrofuran

> <TYPES>
PFAS

$$$$