4-(2,2,2-Trifluoroethyl)piperazine bishydrochloride

C₆H₁₃Cl₂F₃N₂CAS 13349-91-2241.08 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₆H₁₃Cl₂F₃N₂
Molar mass: 241.08 g/mol
Exact mass: 240.0408 Da
Melting point: 198–205 °C
logP: 1.30Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13349-91-2

SMILES

Cl.Cl.FC(F)(F)CN1CCNCC1

InChIKey

FZNSAOHSKTXHEJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H11F3N2.2ClH/c7-6(8,9)5-11-3-1-10-2-4-11;;/h10H,1-5H2;2*1H

Weigh it out

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

Names and synonyms

3 names

Piperazine, 1-(2,2,2-trifluoroethyl)-, hydrochloride (1:2)
Piperazine, 1-(2,2,2-trifluoroethyl)-, dihydrochloride
1-(2,2,2-Trifluoroethyl)piperazine dihydrochloride

Work with 4-(2,2,2-Trifluoroethyl)piperazine bishydrochloride

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

4,4-Difluoropiperidine hydrochloride144230-52-439 % similar 1-Methylpiperazine dihydrochloride34352-59-539 % similar 4-Benzylpiperazine hydrochloride110475-31-538 % similar Benzylpiperazine dihydrochloride5321-63-138 % similar 1-Cyclopropylpiperazine dihydrochloride139256-79-438 % similar 1-[2(2-Hydroxyethoxy)ethyl]piperazine dihydrochloride85293-16-937 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-537 % similar 1-(2-Piperidinoethyl)piperazine22763-65-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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