chempirical

3-Fluoropyrrolidine hydrochloride

C4H9ClFNCAS 169750-17-8125.57 g/mol

Open in Covalent MOL file
NHFHCl
Alkyl halideSecondary amine

Properties

Molecular formula
C4H9ClFN
Molar mass
125.57 g/mol
Exact mass
125.0408 Da
logP
0.74Crippen 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
169750-17-8
SMILES
C1CNCC1F.Cl
InChIKey
LENYOXXELREKGZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H

Weigh it out

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

Work with 3-Fluoropyrrolidine 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-Fluoropyrrolidine116574-74-4Free base (R)-3-Fluoropyrrolidine hydrochloride136725-55-8Defined stereoisomer

Similar compounds

3-Fluoropiperidine HCl737000-77-074 % similar 4-Fluoropiperidine hydrochloride57395-89-871 % similar 3-Fluoroazetidine hydrochloride617718-46-462 % similar 3-Fluoroazethidine690257-76-248 % similar 3-Aminopyrrolidine dihydrochloride103831-11-446 % similar (R)-(-)-3-Pyrrolidinol hydrochloride104706-47-046 % similar (R)-3-Aminopyrrolidine dihydrochloride116183-81-446 % similar (S)-3-Aminopyrrolidine dihydrochloride116183-83-646 % similar

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

Elsewhere

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