chempirical

2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone

C9H6BrF3OCAS 383-53-9267.05 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
Melting point
47–50 °C
logP
3.28Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
383-53-9
SMILES
O=C(CBr)c1ccc(C(F)(F)F)cc1
InChIKey
HEMROKPXTCOASZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2

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

Names and synonyms

9 names
  • Ethanone, 2-bromo-1-[4-(trifluoromethyl)phenyl]-
  • Acetophenone, 2-bromo-4′-(trifluoromethyl)-
  • 2-Bromo-4′-(trifluoromethyl)acetophenone
  • 4-(Trifluoromethyl)phenacyl bromide
  • 1-(2-Bromo-1-oxoethyl)-4-trifluoromethylbenzene
  • 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one
  • NSC 277303
  • p-(Trifluoromethyl)phenacyl bromide
  • α-Bromo-p-(trifluoromethyl)acetophenone

Work with 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone

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

3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-269 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-760 % similar 4-Fluorophenacyl bromide403-29-259 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-358 % similar 4-Bromophenacyl bromide99-73-056 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-555 % similar 2′-Bromo-4-chloroacetophenone536-38-955 % similar 4-Methylphenacyl bromide619-41-055 % similar

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

Same formula

2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-3

Elsewhere

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