Mrv1652306031606482D          

  8  8  0  0  0  0            999 V2000
    0.9959    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.9959    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
    0.8436    1.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0186    1.6993    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542    0.9959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7542   -0.1709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM043306

> <DATABASE_NAME>
chemdb

> <SMILES>
FC1(F)COC1(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C3H2F4O/c4-2(5)1-8-3(2,6)7/h1H2

> <INCHI_KEY>
OFWDLJKVZZRPOX-UHFFFAOYSA-N

> <FORMULA>
C3H2F4O

> <MOLECULAR_WEIGHT>
130.042

> <EXACT_MASS>
130.004177336

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
6.855463071734791

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2,3,3-tetrafluorooxetane

> <ALOGPS_LOGP>
1.27

> <JCHEM_LOGP>
1.501805903333333

> <ALOGPS_LOGS>
-0.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.611728929827787

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
16.2766

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2,3,3-tetrafluorooxetane

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,2,3,3-tetrafluorooxetane

> <CAS>
765-63-9

> <TYPES>
PFAS

$$$$