4-(Trifluoromethyl)piperidine

C₆H₁₀F₃NCAS 657-36-3153.15 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
Boiling point: 133 °C
logP: 1.55Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor80% of notifiers
H314 Causes severe skin burns and eye damage40% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

657-36-3

SMILES

FC(F)(F)C1CCNCC1

InChIKey

RDRQUUWCJTYHCT-UHFFFAOYSA-N

InChI

InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2

Weigh it out

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

Names and synonyms

1 names

Piperidine, 4-(trifluoromethyl)-

Work with 4-(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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-(Trifluoromethyl)piperidine hydrochloride155849-49-3Salt

Similar compounds

4-(Trifluoromethyl)cyclohexan-1-ol30129-18-146 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-646 % similar 2-(4-Piperidyl)-2-propanol22990-34-742 % similar 4-(Trifluoromethyl)cyclohexanone75091-99-542 % similar 2-(Trifluoromethyl)pyrrolidine119618-29-038 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-337 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-037 % similar 4-Fluoropiperidine hydrochloride57395-89-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Trifluoromethyl)piperidine768-31-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook