1-Chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]benzene

C₁₅H₁₁Cl₂FCAS 133001-05-5281.15 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Aryl halide

Properties

Molecular formula: C₁₅H₁₁Cl₂F
Molar mass: 281.15 g/mol
Exact mass: 280.0222 Da
logP: 5.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3
Double bonds: ZE/Z, in SMILES order

Identifiers

CAS number

133001-05-5

SMILES

Fc1ccc(/C(=C/c2ccccc2Cl)CCl)cc1

InChIKey

JSTUCVNHFRSOGR-UKTHLTGXSA-N

InChI

InChI=1S/C15H11Cl2F/c16-10-13(11-5-7-14(18)8-6-11)9-12-3-1-2-4-15(12)17/h1-9H,10H2/b13-9+

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Names and synonyms

3 names

Benzene, 1-chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]-
Benzene, 1-chloro-2-[3-chloro-2-(4-fluorophenyl)-1-propenyl]-, (Z)-
Z-3-Chloro-2-(4-fluorophenyl)-1-(2-chlorophenyl)propene

Work with 1-Chloro-2-[(1Z)-3-chloro-2-(4-fluorophenyl)-1-propen-1-yl]benzene

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-Chlorophenyl)(4-fluorophenyl)methanone1806-23-143 % similar 2-Chloro-4′-fluoroacetophenone456-04-241 % similar Cs gas2698-41-140 % similar 3-Chloro-4′-fluoropropiophenone347-93-336 % similar (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone915095-86-236 % similar 2-Chlorostyrene2039-87-435 % similar 2-Chlorobenzaldehyde89-98-535 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-235 % similar

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

Elsewhere

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