CAS 7617-93-8|2,5-Bis(trifluoromethyl)bromobenzene|2-bromo-1,4-bis(trifluoromethyl)benzene|2-bromo-1,4-bis(trifluoromethyl)benzene|1,4-Bis(trifluoromethyl)-2-bromobenzene|2,5-双(三氟甲基)溴苯|2,5-Bi...

General Information

Structure

Molecular Formula

C₈H₃BrF₆

Molecular Mass

293.0038392

Exact Mass

291.93223142

Charge

InChI

InChI=1S/C8H3BrF6/c9-6-3-4(7(10,11)12)1-2-5(6)8(13,14)15/h1-3H

InChIKey

GFQNSGHVOFVTLC-UHFFFAOYSA-N

Canonic Smiles

Brc1cc(ccc1C(F)(F)F)C(F)(F)F

Isomeric Smiles

c1(ccc(c(c1)Br)C(F)(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.4976954

LogD (pH = 7.4)

4.4976954

Log P

4.4976954

Molar Refractivity

45.6282

Polarizability

16.477633

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,5-Bis(trifluoromethyl)bromobenzene1,4-Bis(trifluoromethyl)-2-bromobenzene2,5-双(三氟甲基)溴苯2,5-Bis(trifluoromethyl)bromobenzene2,5-Bis(trifluoromethyl)bromobenzene1-Bromo-2,5-bis(trifluoromethyl)benzene2-Bromo-1,4-bis(trifluoromethyl)benzene

IUPAC name

2-bromo-1,4-bis(trifluoromethyl)benzene

IUPAC Traditional name

2-bromo-1,4-bis(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

CAS Number

7617-93-8

PubChem SID

24867468160975687

MDL Number

MFCD03094336