1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine

C₁₁H₁₂ClF₃N₂CAS 41213-04-1264.68 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₂ClF₃N₂
Molar mass: 264.68 g/mol
Exact mass: 264.0641 Da
logP: 2.77Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 30 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

41213-04-1

SMILES

FC(F)(F)c1cc(N2CCNCC2)ccc1Cl

InChIKey

SOVLQDJRXJFKHO-UHFFFAOYSA-N

InChI

InChI=1S/C11H12ClF3N2/c12-10-2-1-8(7-9(10)11(13,14)15)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2

Weigh it out

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

Names and synonyms

6 names

Piperazine, 1-[4-chloro-3-(trifluoromethyl)phenyl]-
1-(3-Trifluoromethyl-4-chlorophenyl)piperazine
4-(4-Chloro-3-trifluoromethylphenyl)piperazine
4-(3-Trifluoromethyl-4-chlorophenyl)piperazine
N-(4-Chloro-3-trifluoromethylphenyl)piperazine
1-(4-Chloro-3-(trifluoromethyl)phenyl)piperazine

Work with 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine

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-(3,4-Dichlorophenyl)piperazine57260-67-063 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-959 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-158 % similar 1-(4-(Trifluoromethyl)phenyl)piperazine30459-17-757 % similar TFMPP hydrochloride16015-69-355 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine16172-96-653 % similar 4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol21928-50-752 % similar 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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