chempirical

1-[3-(Trifluoromethyl)phenyl]-2-propanone

C10H9F3OCAS 21906-39-8202.18 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideKetone

Properties

Molecular formula
C10H9F3O
Molar mass
202.18 g/mol
Exact mass
202.0605 Da
Boiling point
105–115 °C (at 20 Torr)
logP
2.84Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
21906-39-8
SMILES
CC(=O)Cc1cccc(C(F)(F)F)c1
InChIKey
JPHQCDCEBDRIOL-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanone, 1-[3-(trifluoromethyl)phenyl]-
  • 2-Propanone, 1-(α,α,α-trifluoro-m-tolyl)-
  • m-(Trifluoromethyl)benzyl methyl ketone
  • 1-(3-Trifluoromethylphenyl)-2-propanone
  • [3-(Trifluoromethyl)phenyl]acetone
  • 1-(α,α,α-Trifluoro-m-tolyl)-2-propanone
  • m-(Trifluoromethyl)phenylacetone
  • 1-(3-Trifluoromethylphenyl)acetone
  • 1-(3-Trifluoromethylphenyl)propane-2-one

Work with 1-[3-(Trifluoromethyl)phenyl]-2-propanone

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-(Trifluoromethyl)phenyl]acetic acid351-35-963 % similar Phenylacetone103-79-753 % similar 3′-Methoxyphenyl-2-propanone3027-13-253 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-252 % similar 3-(Trifluoromethyl)benzylamine2740-83-251 % similar 3-(Trifluoromethyl)benzenemethanol349-75-751 % similar 3-(Trifluoromethyl)benzyl bromide402-23-351 % similar 3-(Trifluoromethyl)benzyl chloride705-29-351 % similar

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

Same formula

3-(Trifluoromethyl)benzenepropanal21172-41-8

Elsewhere

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