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

C8H4BrF3OCAS 655-26-5253.02 g/mol

Open in Covalent MOL file
BrOFFF
Alkyl halideAryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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