chempirical

1,8-Dibromoperfluorooctane

C8Br2F16CAS 812-58-8559.87 g/mol

Open in Covalent MOL file
FFBrFFFFFFFFBrFFFFFF
Alkyl halide

Properties

Molecular formula
C8Br2F16
Molar mass
559.87 g/mol
Exact mass
557.8111 Da
logP
6.77Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

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
812-58-8
SMILES
C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)Br)(F)F)(F)F)(F)F
InChIKey
LYRJPHOHVRHNQH-UHFFFAOYSA-N
InChI
InChI=1S/C8Br2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26

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Work with 1,8-Dibromoperfluorooctane

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

1,6-Dibromododecafluorohexane918-22-9100 % similar 1,4-Dibromooctafluorobutane335-48-892 % similar 1-Bromoperfluorohexane335-56-881 % similar 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane375-88-281 % similar Perfluorooctyl bromide423-55-281 % similar 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane558-96-381 % similar 1-Bromononafluorobutane375-48-475 % similar 1-Bromo-1,1,2,2,3,3,3-heptafluoropropane422-85-565 % similar

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

Elsewhere

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