4-Fluoro-3-methylacetophenone

C9H9FOCAS 369-32-4152.17 g/mol

Open in Covalent MOL file
OF
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
369-32-4
SMILES
CC1=C(C=CC(=C1)C(=O)C)F
InChIKey
SMSVMBMJEYTUOZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(4-Fluoro-3-methylphenyl)ethan-1-one

Work with 4-Fluoro-3-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-(3,4-Difluorophenyl)ethanone369-33-570 % similar 3,4-Dimethylacetophenone3637-01-267 % similar 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-463 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-462 % similar 4-Fluoro-3-amino-acetophenone2002-82-662 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-262 % similar 4-Fluoro-3-methylbenzoic acid403-15-662 % similar 4-Fluoro-3-methylbenzoyl chloride455-84-562 % 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 2'-Fluoro-5'-methylacetophenone446-07-1 1-(4-Fluorophenyl)-1-propanone456-03-1 (4-Fluorophenyl)acetone459-03-0

Elsewhere

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