2-Methyl-1-[4-(trifluoromethoxy)phenyl]-1-propanone

C₁₁H₁₁F₃O₂CAS 56425-84-4232.20 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₁H₁₁F₃O₂
Molar mass: 232.20 g/mol
Exact mass: 232.0711 Da
logP: 3.42Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

Names and synonyms

2 names

1-Propanone, 2-methyl-1-[4-(trifluoromethoxy)phenyl]-
Isopropyl p-trifluoromethoxyphenyl ketone

Work with 2-Methyl-1-[4-(trifluoromethoxy)phenyl]-1-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

1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-558 % similar 4-(Trifluoromethoxy)benzoic acid330-12-154 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-854 % similar 4-(Trifluoromethoxy)phenacyl bromide103962-10-350 % similar Isobutyrophenone611-70-150 % similar 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propanenitrile122454-46-047 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-946 % similar 2-[4-(Trifluoromethoxy)phenyl]propanedial493036-48-944 % similar

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

Elsewhere

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