3,3-Difluoroazetidine hydrochloride

C₃H₆ClF₂NCAS 288315-03-7129.53 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₃H₆ClF₂N
Molar mass: 129.53 g/mol
Exact mass: 129.0157 Da
logP: 0.65Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation95.9% 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

288315-03-7

SMILES

C1C(CN1)(F)F.Cl

InChIKey

CDBAEFXTCRKJPZ-UHFFFAOYSA-N

InChI

InChI=1S/C3H5F2N.ClH/c4-3(5)1-6-2-3;/h6H,1-2H2;1H

Weigh it out

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

Work with 3,3-Difluoroazetidine 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 hydrochloride163457-23-662 % similar 3,3-Difluoropiperidine hydrochloride496807-97-757 % similar 4,4-Difluoropiperidine hydrochloride144230-52-452 % similar 3-(Trifluoromethyl)azetidin-3-ol hydrochloride848192-96-146 % similar 2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)ethanamine407-01-242 % similar 4,4-Difluoropiperidine21987-29-138 % similar 3,3-Difluorocyclobutanamine hydrochloride637031-93-738 % similar 2,2,2-Trifluoroethylamine hydrochloride373-88-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook