CAS 655-26-5|3'-Bromo-2,2,2-trifluoroacetophenone 98%|1-(3-bromophenyl)-2,2,2-trifluoroethan-1-one|1-(3-bromophenyl)-2,2,2-trifluoroethanone|1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-one|3′-Bromo-2,...

General Information

Structure

Molecular Formula

C₈H₄BrF₃O

Molecular Mass

253.0159696

Exact Mass

251.93976141

Charge

InChI

InChI=1S/C8H4BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H

InChIKey

JOKNUXPHMQZTQB-UHFFFAOYSA-N

Canonic Smiles

Brc1cccc(c1)C(=O)C(F)(F)F

Isomeric Smiles

O=C(c1cccc(c1)Br)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.4319746

LogD (pH = 7.4)

3.4319746

Log P

3.4319746

Molar Refractivity

45.0938

Polarizability

16.644262

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

3'-Bromo-2,2,2-trifluoroacetophenone 98%1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-one3-Bromo-α,α,α-trifluoroacetophenone3′-溴-2,2,2-三氟苯乙酮3′-Bromo-2,2,2-trifluoroacetophenone3-Brom-α,α,α-trifluoracetophenon3-溴-α,α,α-三氟苯乙酮

IUPAC name

1-(3-bromophenyl)-2,2,2-trifluoroethan-1-one

IUPAC Traditional name

1-(3-bromophenyl)-2,2,2-trifluoroethanone

Names and Identifiers

Registration numbers

CAS Number

655-26-5

PubChem SID

162084222

PubChem CID

14647442