1-(4-Fluorophenyl)-1-propanone

C9H9FOCAS 456-03-1152.17 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
Boiling point
105–107 °C (at 22 Torr)
logP
2.42Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
456-03-1
SMILES
CCC(=O)c1ccc(F)cc1
InChIKey
QIJNVLLXIIPXQT-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanone, 1-(4-fluorophenyl)-
  • Propiophenone, 4′-fluoro-
  • p-Fluoropropiophenone
  • 4′-Fluoropropiophenone
  • 4-Fluoropropiophenone
  • 1-(4-Fluorophenyl)propan-1-one
  • Ethyl 4-fluorophenyl ketone
  • NSC 63354
  • 4-Fluorophenylpropanone

Work with 1-(4-Fluorophenyl)-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-Fluorophenyl)-1-butanone582-83-267 % similar 3,5-Difluoropropiophenone135306-45-566 % similar 4′-Methylpropiophenone5337-93-962 % similar Propiophenone93-55-061 % similar 4′-Bromopropiophenone10342-83-360 % similar 4'-Ethylpropiophenone27465-51-660 % similar 2-Amino-4'-fluoroacetophenone369-43-760 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-260 % 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 2'-Fluoro-5'-methylacetophenone446-07-1 (4-Fluorophenyl)acetone459-03-0

Elsewhere

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