2'-Fluoro-5'-methylacetophenone

C9H9FOCAS 446-07-1152.17 g/mol

Open in Covalent MOL file
FO
Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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 2′,4′,5′-Trifluoroacetophenone129322-83-458 % 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-phenylpropan-1-one21120-36-5 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

PubChem CAS Common Chemistry NIST WebBook