1-[2-(Trifluoromethyl)phenyl]piperazine

C₁₁H₁₃F₃N₂CAS 63854-31-9230.23 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃F₃N₂
Molar mass: 230.23 g/mol
Exact mass: 230.1031 Da
logP: 2.12Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

63854-31-9

SMILES

FC(F)(F)c1ccccc1N1CCNCC1

InChIKey

VZUBMIDXJRGARE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2

Weigh it out

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

Names and synonyms

4 names

Piperazine, 1-[2-(trifluoromethyl)phenyl]-
1-(o-Trifluoromethylphenyl)piperazine
4-(2-Trifluoromethylphenyl)piperazine
1-(2-(Trifluoromethyl)phenyl)piperazine

Work with 1-[2-(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-(Trifluoromethyl)-2-pyridinyl]piperazine87394-63-658 % similar 1-(2-Fluorophenyl)piperazine1011-15-056 % similar 1-(2-Bromophenyl)piperazine1011-13-853 % similar 2-(1-Piperazinyl)phenol1011-17-251 % similar 1-(2-Chlorophenyl)piperazine39512-50-051 % similar 2-Mepp39512-51-151 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-151 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline133184-80-2 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-9 1-(4-(Trifluoromethyl)phenyl)piperazine30459-17-7

Elsewhere

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