chempirical

3-Fluoroazetidine hydrochloride

C3H7ClFNCAS 617718-46-4111.54 g/mol

Open in Covalent MOL file
HNFHCl
Alkyl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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, hydrochloride (1:1)73799-64-145 % 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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