3-(Trifluoromethyl)piperidine

C6H10F3NCAS 768-31-0153.15 g/mol

Open in Covalent MOL file
HNFFF
Alkyl halideSecondary amine

Properties

Molecular formula
C6H10F3N
Molar mass
153.15 g/mol
Exact mass
153.0765 Da
logP
1.55Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
768-31-0
SMILES
C1CC(CNC1)C(F)(F)F
InChIKey
JOHFJTBDUSVGQB-UHFFFAOYSA-N
InChI
InChI=1S/C6H10F3N/c7-6(8,9)5-2-1-3-10-4-5/h5,10H,1-4H2

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Names and synonyms

1 names
  • Dl-3-(trifluoromethyl)piperidine

Work with 3-(Trifluoromethyl)piperidine

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

2-(Trifluoromethyl)pyrrolidine119618-29-048 % similar 4-(Trifluoromethyl)piperidine hydrochloride155849-49-346 % similar 3-Hydroxypiperidine6859-99-044 % similar (R)-3-Hydroxypiperidine hydrocloride198976-43-140 % similar (S)-3-Hydroxypiperidine hydrochloride475058-41-440 % similar 3-Hydroxypiperidine hydrochloride64051-79-240 % similar 3-Fluoropiperidine HCl737000-77-040 % similar (3R)-Piperidin-3-amine127294-73-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)piperidine657-36-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook