3'-Bromo-2,2,2-trifluoroacetophenone

C₈H₄BrF₃OCAS 655-26-5253.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₄BrF₃O
Molar mass: 253.02 g/mol
Exact mass: 251.9398 Da
logP: 3.19Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

655-26-5

SMILES

C1=CC(=CC(=C1)Br)C(=O)C(F)(F)F

InChIKey

JOKNUXPHMQZTQB-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3'-Bromo-2,2,2-trifluoroacetophenone

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

2,2,2,3′-Tetrafluoroacetophenone708-64-566 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-760 % similar 2,2,2-Trifluoro-1-(3-nitrophenyl)ethanone657-15-854 % similar 3-Bromobenzophenone1016-77-950 % similar 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-250 % similar 3-Bromobenzoyl chloride1711-09-750 % similar 3-Bromoacetophenone2142-63-450 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-950 % similar

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

Same formula

2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-7 3-Bromo-5-(trifluoromethyl)benzaldehyde477535-41-4 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-7 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook