3-(Trifluoromethyl)piperidine

C₆H₁₀F₃NCAS 768-31-0153.15 g/mol

Open in Covalent MOL file

Alkyl halide Secondary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

Weigh it out

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

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

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