chempirical

1-(2'-Fluoro-[1,1'-biphenyl]-4-yl)propan-1-one

C15H13FOCAS 37989-92-7228.27 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C15H13FO
Molar mass
228.27 g/mol
Exact mass
228.0950 Da
logP
4.09Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
37989-92-7
SMILES
CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2F
InChIKey
ZXIQZWXVSBJPTC-UHFFFAOYSA-N
InChI
InChI=1S/C15H13FO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3

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Names and synonyms

1 names
  • 4'-(2-Fluorophenyl)propiophenone

Work with 1-(2'-Fluoro-[1,1'-biphenyl]-4-yl)propan-1-one

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-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-163 % similar 2'-Fluorobiphenyl-4-carboxylic acid365-12-856 % similar Propiophenone93-55-056 % similar 1-(4-Fluorophenyl)-1-propanone456-03-156 % similar 1-(3,4-Difluorophenyl)-1-propanone23384-72-755 % similar 1-(2,6-Difluorophenyl)-1-propanone85068-31-154 % similar 1-(3-Bromo-4-fluorophenyl)-1-propanone202865-82-550 % similar 4′-Methylpropiophenone5337-93-949 % similar

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

Elsewhere

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