chempirical

3',5'-Bis(trifluoromethyl)-2-bromoacetophenone

C10H5BrF6OCAS 131805-94-2335.04 g/mol

Open in Covalent MOL file
FFFFFFOBr
Alkyl halideKetone

Properties

Molecular formula
C10H5BrF6O
Molar mass
335.04 g/mol
Exact mass
333.9428 Da
logP
4.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
131805-94-2
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)CBr
InChIKey
ZEKBFXJTIAEUOF-UHFFFAOYSA-N
InChI
InChI=1S/C10H5BrF6O/c11-4-8(18)5-1-6(9(12,13)14)3-7(2-5)10(15,16)17/h1-3H,4H2

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Names and synonyms

1 names
  • 3,5-Bis(trifluoromethyl)phenacyl bromide

Work with 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone

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-(trifluoromethyl)phenyl]ethanone2003-10-371 % similar 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-969 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-464 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone207974-20-751 % similar Bis (trifluoromethyl)acetophenone30071-93-350 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-350 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-850 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-346 % similar

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

Elsewhere

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