Mrv1652306031607442D          

 16 15  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
    0.4125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.8579    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
   -0.3020   -2.5559    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.7309    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -3.5724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -3.2704    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.4454    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  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  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  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  2  1  0  0  0  0
 16  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010470

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5F10O/c6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13

> <INCHI_KEY>
KHXKESCWFMPTFT-UHFFFAOYSA-N

> <FORMULA>
C5F10O

> <MOLECULAR_WEIGHT>
266.038

> <EXACT_MASS>
265.97894625

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
11.124416327505024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1,2,2,3,3-heptafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propane

> <ALOGPS_LOGP>
3.11

> <JCHEM_LOGP>
3.8360733393333333

> <ALOGPS_LOGS>
-5.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.663698993994719

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
48.7327

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1,2,2,3,3-heptafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Propane, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]-

> <CAS>
1623-05-8

> <SYNONYMS>
heptafluoropropyl trifluorovinyl ether

$$$$