CAS 76437-40-6|1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene|1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene|2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide|2,3...

General Information

Structure

Molecular Formula

C₈H₂BrF₇

Molecular Mass

310.9943024

Exact Mass

309.9228096

Charge

InChI

InChI=1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2

InChIKey

WKPYRDRWTNJBQI-UHFFFAOYSA-N

Canonic Smiles

BrCc1c(F)c(F)c(c(c1F)F)C(F)(F)F

Isomeric Smiles

C(c1c(c(c(c(c1F)F)CBr)F)F)(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.194639

LogD (pH = 7.4)

4.194639

Log P

4.194639

Molar Refractivity

45.7477

Polarizability

16.382107

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

IUPAC name

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

Synonyms

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene2,3,5,6-四氟-4-(三氟甲基)苄基溴4-(三氟甲基)-2,3,5,6-四氟苄基溴4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide4-(Bromomethyl)-2,3,5,6-tetrafluoro-benzotrifluoride1-(溴甲基)-2,3,5,6-四氟-4-(三氟甲基)苯

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem SID

PubChem CID