3,3-Difluoropiperidine hydrochloride

C₅H₁₀ClF₂NCAS 496807-97-7157.59 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₅H₁₀ClF₂N
Molar mass: 157.59 g/mol
Exact mass: 157.0470 Da
logP: 1.43Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

496807-97-7

SMILES

C1CC(CNC1)(F)F.Cl

InChIKey

LEHHIPIDKQVNEV-UHFFFAOYSA-N

InChI

InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-3-8-4-5;/h8H,1-4H2;1H

Weigh it out

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

Work with 3,3-Difluoropiperidine hydrochloride

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

3,3-Difluoropyrrolidine hydrochloride163457-23-674 % similar 3,3-Difluoroazetidine hydrochloride288315-03-757 % similar 4,4-Difluoropiperidine21987-29-140 % similar 3,3-Dimethylpiperidine1193-12-039 % similar Azetidine hydrochloride36520-39-539 % similar Piperidinium chloride6091-44-738 % similar 2,2-Dimethylpyrrolidine hydrochloride623580-01-833 % similar 4-Methyl-4,7-diazaspiro[2.5]octane dihydrochloride1152111-72-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4-Difluoropiperidine hydrochloride144230-52-4

Elsewhere

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