2'-Fluoro-5'-methylacetophenone

C₉H₉FOCAS 446-07-1152.17 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₉FO
Molar mass: 152.17 g/mol
Exact mass: 152.0637 Da
logP: 2.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

446-07-1

SMILES

CC1=CC(=C(C=C1)F)C(=O)C

InChIKey

DNDPUIGGUBKRQB-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO/c1-6-3-4-9(10)8(5-6)7(2)11/h3-5H,1-2H3

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

Names and synonyms

1 names

1-(2-Fluoro-5-methylphenyl)ethan-1-one

Work with 2'-Fluoro-5'-methylacetophenone

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-(2,5-Difluorophenyl)ethanone1979-36-866 % similar 1-(2,5-Dimethylphenyl)ethanone2142-73-663 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-362 % similar 2-Fluoro-5-methylbenzoic acid321-12-062 % similar 2′-Hydroxy-5′-methylacetophenone1450-72-259 % similar 2'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-758 % similar 1-(2,4,5-Trifluorophenyl)ethanone129322-83-458 % similar 2′,4′-Dimethylacetophenone89-74-758 % similar

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

Same formula

3-Fluorophenylacetone1737-19-5 2-Fluoro-1-phenyl-1-propanone21120-36-5 1-(2-Fluorophenyl)-2-propanone2836-82-0 4-Fluoro-3-methylacetophenone369-32-4 1-(4-Fluorophenyl)-1-propanone456-03-1 (4-Fluorophenyl)acetone459-03-0

Elsewhere

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