chempirical

1,8-Divinylperfluorooctane

C12H6F16CAS 35192-44-0454.15 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halide

Properties

Molecular formula
C12H6F16
Molar mass
454.15 g/mol
Exact mass
454.0214 Da
logP
6.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
35192-44-0
SMILES
C=CC(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey
JJLUWYULIBMDGF-UHFFFAOYSA-N
InChI
InChI=1S/C12H6F16/c1-3-5(13,14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)4-2/h3-4H,1-2H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,8-Divinylperfluorooctane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-1,9-decadiene1800-91-5100 % similar 3,3,4,4,5,5,6,6-Octafluoro-1,7-octadiene678-65-994 % similar Heptadecafluoro-1-decene21652-58-480 % similar (Perfluorohexyl)ethylene25291-17-280 % similar 1H,1H,2H-Perfluoro-1-dodecene30389-25-480 % similar (Perfluorobutyl)ethylene19430-93-475 % similar 4-Bromo-3,3,4,4-tetrafluoro-1-butene18599-22-948 % similar 3,3,3-Trifluoropropene677-21-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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