1-(3,5-Bis(trifluoromethyl)phenyl)piperazine

C12H12F6N2CAS 16172-96-6298.23 g/mol

Open in Covalent MOL file
NHNFFFFFF
Alkyl halideSecondary amineTertiary amine

Properties

Molecular formula
C12H12F6N2
Molar mass
298.23 g/mol
Exact mass
298.0905 Da
logP
3.13Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16172-96-6
SMILES
C1CN(CCN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChIKey
KBJABLNQZCSKGE-UHFFFAOYSA-N
InChI
InChI=1S/C12H12F6N2/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)20-3-1-19-2-4-20/h5-7,19H,1-4H2

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Names and synonyms

1 names
  • 1-(3,5-Bistrifluoromethylphenyl)-piperazine

Work with 1-(3,5-Bis(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)phenyl]piperazine15532-75-970 % similar 1-(4-(Trifluoromethyl)phenyl)piperazine30459-17-768 % similar TFMPP hydrochloride16015-69-364 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-153 % similar 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine132834-59-453 % similar 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-350 % similar 1-(3,5-Dichlorophenyl)piperazine55827-50-450 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane231953-40-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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