2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one

C₁₂H₁₂Cl₂F₃N₃OCAS 260553-15-9342.14 g/mol

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Alkyl halide Amide Aryl halide Tertiary amine

Properties

Molecular formula: C₁₂H₁₂Cl₂F₃N₃O
Molar mass: 342.14 g/mol
Exact mass: 341.0310 Da
logP: 2.64Crippen estimate
Polar surface area: 36.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

260553-15-9

SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)CCl

InChIKey

KLIHROVAEIKGPP-UHFFFAOYSA-N

InChI

InChI=1S/C12H12Cl2F3N3O/c13-6-10(21)19-1-3-20(4-2-19)11-9(14)5-8(7-18-11)12(15,16)17/h5,7H,1-4,6H2

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Names and synonyms

1 names

1-Chloroacetyl-4-(3-chloro-5-(trifluoromethyl)pyrid-2-yl)piperazine

Work with 2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-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-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine132834-59-464 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane231953-40-559 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-743 % similar Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-542 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-141 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide175277-46-039 % similar 3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine175136-17-138 % similar 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-637 % similar

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

Elsewhere

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