1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

C₆HBrF₁₂CAS 355-36-2380.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆HBrF₁₂
Molar mass: 380.96 g/mol
Exact mass: 379.9070 Da
logP: 4.78Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

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

355-36-2

SMILES

C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(F)F

InChIKey

POJDLLAQCVDMMK-UHFFFAOYSA-N

InChI

InChI=1S/C6HBrF12/c7-6(18,19)5(16,17)4(14,15)3(12,13)2(10,11)1(8)9/h1H

Weigh it out

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Names and synonyms

1 names

1H-6-Bromoperfluorohexane

Work with 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane

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

1H-Perfluoroheptane27213-61-264 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane335-65-964 % similar 1H-Perfluorohexane355-37-364 % similar 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluorodecane375-97-364 % similar 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-264 % similar 1,8-Dibromoperfluorooctane812-58-859 % similar 1,6-Dibromododecafluorohexane918-22-959 % similar 1,4-Dibromooctafluorobutane335-48-855 % similar

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

Elsewhere

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