2-Chloro-1-(4-fluorophenyl)-1-propanone

C₉H₈ClFOCAS 81112-09-6186.61 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₈ClFO
Molar mass: 186.61 g/mol
Exact mass: 186.0248 Da
logP: 2.64Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

81112-09-6

SMILES

CC(Cl)C(=O)c1ccc(F)cc1

InChIKey

AGQLOTJUTCKLOE-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3

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

Names and synonyms

2 names

1-Propanone, 2-chloro-1-(4-fluorophenyl)-
2-Chloro-p-fluoropropiophenone

Work with 2-Chloro-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

2-Chloro-1-phenyl-1-propanone6084-17-965 % similar Cyclopropyl(4-fluorophenyl)methanone772-31-655 % similar 4′-Fluoroacetophenone403-42-945 % similar 4-Fluorobenzoyl chloride403-43-045 % similar 4,4'-Difluorobenzophenone345-92-645 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-545 % similar 4-(4-Fluorobenzoyl)piperidine hydrochloride25519-78-244 % similar 4-Fluorobenzamide824-75-942 % similar

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

Same formula

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-4 3-Chloro-4′-fluoropropiophenone347-93-3

Elsewhere

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