chempirical

2-(Trifluoromethyl)phenacyl bromide

C9H6BrF3OCAS 54109-16-9267.05 g/mol

Open in Covalent MOL file
OBrFFF
Alkyl halideKetone

Properties

Molecular formula
C9H6BrF3O
Molar mass
267.05 g/mol
Exact mass
265.9554 Da
logP
3.28Crippen 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
54109-16-9
SMILES
C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F
InChIKey
KWZCBMKXNYOQAK-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrF3O/c10-5-8(14)6-3-1-2-4-7(6)9(11,12)13/h1-4H,5H2

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Names and synonyms

1 names
  • 2-Bromo-1-[2-(trifluoromethyl)phenyl]ethan-1-one

Work with 2-(Trifluoromethyl)phenacyl bromide

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-(Trifluoromethyl)propiophenone16185-96-965 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-259 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-956 % similar Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate212755-77-655 % similar 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-354 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-754 % similar 2-(Trifluoromethyl)benzoic acid433-97-654 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-854 % similar

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

Same formula

2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-3 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-9

Elsewhere

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