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

C₁₅H₁₃FOCAS 37989-92-7228.27 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₅H₁₃FO
Molar mass: 228.27 g/mol
Exact mass: 228.0950 Da
logP: 4.09Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

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

Weigh it out

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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 3'-Bromo-4'-fluoropropiophenone202865-82-550 % similar 4′-Methylpropiophenone5337-93-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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