chempirical

2-Methyl-1-(4-(trifluoromethoxy)phenyl)propan-1-one

C11H11F3O2CAS 56425-84-4232.20 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEtherKetone

Properties

Molecular formula
C11H11F3O2
Molar mass
232.20 g/mol
Exact mass
232.0711 Da
logP
3.42Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
56425-84-4
SMILES
CC(C)C(=O)c1ccc(OC(F)(F)F)cc1
InChIKey
LRLLMOWTLDDQIW-UHFFFAOYSA-N
InChI
InChI=1S/C11H11F3O2/c1-7(2)10(15)8-3-5-9(6-4-8)16-11(12,13)14/h3-7H,1-2H3

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Names and synonyms

3 names
  • 2-Methyl-1-[4-(trifluoromethoxy)phenyl]-1-propanone
  • 1-Propanone, 2-methyl-1-[4-(trifluoromethoxy)phenyl]-
  • Isopropyl p-trifluoromethoxyphenyl ketone

Work with 2-Methyl-1-(4-(trifluoromethoxy)phenyl)propan-1-one

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

1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-558 % similar 4-(Trifluoromethoxy)benzamide456-71-356 % similar Methyl 4-(trifluoromethoxy)benzoate780-31-455 % similar 4-(Trifluoromethoxy)benzoic acid330-12-154 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-854 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-350 % similar 2-(4-(Trifluoromethoxy)phenoxy)propanoic acid175204-35-050 % similar 4-(Trifluoromethoxy)benzoic acid hydrazide175277-18-650 % similar

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

Elsewhere

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