chempirical

Bis (trifluoromethyl)acetophenone

C10H6F6OCAS 30071-93-3256.15 g/mol

Open in Covalent MOL file
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Alkyl halideKetone

Properties

Molecular formula
C10H6F6O
Molar mass
256.15 g/mol
Exact mass
256.0323 Da
Boiling point
187–189 °C
logP
3.93Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
30071-93-3
SMILES
CC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
MCYCSIKSZLARBD-UHFFFAOYSA-N
InChI
InChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3

Weigh it out

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

Names and synonyms

10 names
  • Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-
  • Acetophenone, 3′,5′-bis(trifluoromethyl)-
  • 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone
  • 1-[3,5-Di(trifluoromethyl)phenyl]ethanone
  • 3′,5′-Bis(trifluoromethyl)acetophenone
  • 3,5-Bis(trifluoromethyl)acetophenone
  • 3,5-Di(trifluoromethyl)acetophenone
  • 3,5-Bis(trifluoromethyl)phenyl methyl ketone
  • 1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-one
  • 1-[3,5-Di(trifluoromethyl)phenyl]ethan-1-one

Work with Bis (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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-877 % similar 3′-(Trifluoromethyl)acetophenone349-76-868 % similar 4-(Trifluoromethyl)acetophenone709-63-766 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-459 % similar 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-658 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-355 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-855 % similar Methyl 3,5-bistrifluoromethylbenzoate26107-80-255 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook