(E)-4-(2-Chloro-6-fluoro-phenyl)-but-3-en-2-one

C₁₀H₈ClFOCAS 175136-82-0198.62 g/mol

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Alkene Aryl halide Ketone

Properties

Molecular formula: C₁₀H₈ClFO
Molar mass: 198.62 g/mol
Exact mass: 198.0248 Da
logP: 3.08Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

175136-82-0

SMILES

CC(=O)/C=C/C1=C(C=CC=C1Cl)F

InChIKey

VZRBDBXFAKDNDJ-AATRIKPKSA-N

InChI

InChI=1S/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+

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Names and synonyms

1 names

2-Chloro-6-fluorobenzylideneacetone

Work with (E)-4-(2-Chloro-6-fluoro-phenyl)-but-3-en-2-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

2-Chloro-6-fluorobenzaldehyde387-45-151 % similar 4-(4-Chlorophenyl)-3-buten-2-one3160-40-545 % similar 3-(2,6-Dichlorophenyl)-2-propenoic acid5345-89-145 % similar 4-Phenyl-3-buten-2-one122-57-645 % similar trans-4-Phenyl-3-buten-2-one1896-62-445 % similar 2-Chloro-6-fluorobenzaldehyde oxime443-33-444 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-341 % similar 2-Chloro-6-fluorobenzoic acid434-75-340 % similar

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

Elsewhere

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