chempirical

1,1,1,2,2,3,3,4-Octafluorobutane

C4H2F8CAS 662-35-1202.05 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4H2F8
Molar mass
202.05 g/mol
Exact mass
202.0029 Da
logP
2.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

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
662-35-1
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)F
InChIKey
XALFNZSGFNPWSM-UHFFFAOYSA-N
InChI
InChI=1S/C4H2F8/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2

Weigh it out

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

Work with 1,1,1,2,2,3,3,4-Octafluorobutane

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

1,1,1,2,2,3,3-Heptafluoro-4-iodobutane374-98-152 % similar 2,2,3,3,4,4,4-Heptafluorobutylamine374-99-252 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-952 % similar 1,1,1,2,2,3,3-Heptafluoro-5-iodopentane1513-88-848 % similar Perfluorobutane355-25-944 % similar 3-(Perfluoropropyl)propanol679-02-744 % similar Octafluoropropane76-19-744 % similar 1H,1H-Perfluoro-1-tetradecanol15622-57-842 % similar

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

Elsewhere

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