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

C₁₂H₁₂Cl₂F₃N₃OCAS 260553-15-9342.14 g/mol

Open in Covalent MOL file

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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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

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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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