chempirical

1-Bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane

C6BrF11CAS 125112-68-7360.95 g/mol

Open in Covalent MOL file
FFFBrFFFFFFFF
Alkyl halide

Properties

Molecular formula
C6BrF11
Molar mass
360.95 g/mol
Exact mass
359.9008 Da
logP
4.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
125112-68-7
SMILES
FC(F)(F)C1(Br)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIKey
WODMJKXUZQZFRA-UHFFFAOYSA-N
InChI
InChI=1S/C6BrF11/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11

Weigh it out

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

Names and synonyms

2 names
  • Cyclopentane, 1-bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)-
  • 1-Bromooctafluoro-1-(trifluoromethyl)cyclopentane

Work with 1-Bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane

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

Perfluorooctane307-34-656 % similar Perfluorododecane307-59-556 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Triacontafluorotetradecane307-62-056 % similar Perfluoroheptane335-57-956 % similar Perfluorohexane355-42-056 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Tetratriacontafluorohexadecane355-49-756 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Dotetracontafluoroeicosane37589-57-456 % similar Perfluorobutane355-25-950 % similar

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

Elsewhere

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