CAS 423-55-2|1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane|1-Bromoperfluorooctane|perflubron|1-Bromoperfluorooctane|1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane|...

General Information

Structure

Molecular Formula

C₈BrF₁₇

Molecular Mass

498.9624544

Exact Mass

497.89119174

Charge

InChI

InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26

InChIKey

WTWWXOGTJWMJHI-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.642633

LogD (pH = 7.4)

6.642633

Log P

6.642633

Molar Refractivity

48.5205

Polarizability

19.360888

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC Traditional name

perflubron

Synonyms

1-Bromoperfluorooctane1-BromoperfluorooctanePerfluorooctyl bromide 99%1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane全氟溴辛烷全氟辛基溴1-溴十七氟辛烷1-BromoheptadecafluorooctaneHeptadecafluorooctyl bromidePerfluorooctyl bromide1-Bromoperfluorooctane1-溴全氟辛烷Perflubron

IUPAC name

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Merck Index