chempirical

2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone

C9H5BrF4OCAS 537050-14-9285.04 g/mol

Open in Covalent MOL file
OBrFFFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H5BrF4O
Molar mass
285.04 g/mol
Exact mass
283.9460 Da
logP
3.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
537050-14-9
SMILES
C1=CC(=C(C=C1C(=O)CBr)C(F)(F)F)F
InChIKey
BUNOSKWLVXNWEH-UHFFFAOYSA-N
InChI
InChI=1S/C9H5BrF4O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2

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Names and synonyms

1 names
  • 4-Fluoro-3-(trifluoromethyl)phenacyl bromid

Work with 2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone

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-Bromo-1-(3,4-difluorophenyl)ethan-1-one40706-98-767 % similar 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-958 % similar 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-457 % similar 4-Fluoro-3-(trifluoromethyl)benzoic acid67515-55-357 % similar 4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-457 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-356 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-254 % similar 2-(Trifluoromethyl)phenacyl bromide54109-16-953 % similar

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

Elsewhere

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