4,4-Difluoropiperidine hydrochloride

C₅H₁₀ClF₂NCAS 144230-52-4157.59 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 irritation20.4% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation18.4% of notifiers

Aggregated from 49 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

144230-52-4

SMILES

Cl.FC1(F)CCNCC1

InChIKey

OABUKBBBSMNNPM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Piperidine, 4,4-difluoro-, hydrochloride (1:1)
Piperidine, 4,4-difluoro-, hydrochloride
4,4-Difluoropiperidine monohydrochloride

Work with 4,4-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

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.

4,4-Difluoropiperidine21987-29-1Free base

Similar compounds

3,3-Difluoropyrrolidine hydrochloride163457-23-671 % similar 3,3-Difluoroazetidine hydrochloride288315-03-752 % similar 4,4-Dihydroxypiperidine hydrochloride40064-34-448 % similar Cyclen tetrahydrochloride10045-25-744 % similar Piperazine hydrochloride142-64-344 % similar 1,4,7-Triazacyclononane trihydrochloride58966-93-144 % similar 1,4-Dioxa-8-azaspiro(4.5)decane hydrochloride42899-11-644 % similar 4-(Trifluoromethyl)piperidine hydrochloride155849-49-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3-Difluoropiperidine hydrochloride496807-97-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook