Mrv1652306031608512D          

 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
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.3020    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  4  1  4  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM014612

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H

> <INCHI_KEY>
NLOLSXYRJFEOTA-UHFFFAOYSA-N

> <FORMULA>
C4H2F6

> <MOLECULAR_WEIGHT>
164.05

> <EXACT_MASS>
164.006069042

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.14638446945807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,1,4,4,4-hexafluorobut-2-ene

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
2.6089330906666666

> <ALOGPS_LOGS>
-2.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
23.187799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1,4,4,4-hexafluorobut-2-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Butene, 1,1,1,4,4,4-hexafluoro-, (2Z)-

> <CAS>
692-49-9

> <SYNONYMS>
(2Z)-1,1,1,4,4,4-hexafluorobut-2-ene

$$$$