chempirical

1-Chloro-4H-octafluorobutane

C4HClF8CAS 423-31-4236.49 g/mol

Open in Covalent MOL file
FFClFFFFFF
Alkyl halide

Properties

Molecular formula
C4HClF8
Molar mass
236.49 g/mol
Exact mass
235.9639 Da
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

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
423-31-4
SMILES
C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
InChIKey
NNMVWNQEVYZFRC-UHFFFAOYSA-N
InChI
InChI=1S/C4HClF8/c5-4(12,13)3(10,11)2(8,9)1(6)7/h1H

Weigh it out

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

Names and synonyms

1 names
  • Butane, 1-chloro-1,1,2,2,3,3,4,4-octafluoro-

Work with 1-Chloro-4H-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

1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-262 % similar 1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane662-01-152 % similar 1,10-Dichloroperfluorodecane156186-28-650 % similar 1H-Perfluoroheptane27213-61-250 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane335-65-950 % similar 1H-Perfluorohexane355-37-350 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluorodecane375-97-350 % similar 1,8-Dichloroperfluorooctane647-25-650 % similar

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

Elsewhere

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