Mrv1572004251606122D          

 10  9  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.1434    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.8414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  1  0  0  0  0
 10  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009498

> <DATABASE_NAME>
chemdb

> <SMILES>
FC(F)=C(F)OC(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C3F6O/c4-1(5)2(6)10-3(7,8)9

> <INCHI_KEY>
BLTXWCKMNMYXEA-UHFFFAOYSA-N

> <FORMULA>
C3F6O

> <MOLECULAR_WEIGHT>
166.022

> <EXACT_MASS>
165.985333598

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
6.945061390754903

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,2-trifluoro-2-(trifluoromethoxy)ethene

> <ALOGPS_LOGP>
2.04

> <JCHEM_LOGP>
2.9209785426666666

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.778028881196832

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
34.656600000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.51e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,2-trifluoro-2-(trifluoromethoxy)ethene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ethene, trifluoro(trifluoromethoxy)-

> <CAS>
1187-93-5

> <SYNONYMS>
trifluoro(trifluoromethoxy)ethylene

$$$$