3-Fluoroazetidine hydrochloride

C₃H₇ClFNCAS 617718-46-4111.54 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine

Properties

Molecular formula: C₃H₇ClFN
Molar mass: 111.54 g/mol
Exact mass: 111.0251 Da
logP: 0.35Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed85.7% of notifiers
H312 Harmful in contact with skin71.4% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H332 Harmful if inhaled85.7% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

617718-46-4

SMILES

C1C(CN1)F.Cl

InChIKey

PXFUWRWCKSLCLS-UHFFFAOYSA-N

InChI

InChI=1S/C3H6FN.ClH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H

Weigh it out

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

Work with 3-Fluoroazetidine 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.

3-Fluoroazethidine690257-76-2Free base

Similar compounds

(R)-3-Fluoropyrrolidine hydrochloride136725-55-862 % similar 3-Fluoropyrrolidine hydrochloride169750-17-862 % similar 3-Fluoropiperidine HCl737000-77-057 % similar 4-Fluoropiperidine hydrochloride57395-89-852 % similar 3-Fluoropyrrolidine116574-74-448 % similar 3-Azabicyclo[3.1.0]hexane hydrochloride73799-64-145 % similar 3-Hydroxyazetidine hydrochloride18621-18-643 % similar cis-3,4-Dihydroxypyrrolid...186393-21-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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