chempirical

3-Fluoropyrrolidine

C4H8FNCAS 116574-74-489.11 g/mol

Open in Covalent MOL file
FNH
Alkyl halideSecondary amine

Properties

Molecular formula
C4H8FN
Molar mass
89.11 g/mol
Exact mass
89.0641 Da
logP
0.32Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
116574-74-4
SMILES
FC1CCNC1
InChIKey
CDDGNGVFPQRJJM-UHFFFAOYSA-N
InChI
InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2

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Names and synonyms

1 names
  • Pyrrolidine, 3-fluoro-

Work with 3-Fluoropyrrolidine

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

(R)-3-Fluoropyrrolidine hydrochloride136725-55-884 % similar (+)-3-Pyrrolidinol100243-39-839 % similar (R)-3-Aminopyrrolidine116183-82-539 % similar (-)-3-Aminopyrrolidine128345-57-339 % similar (-)-3-Pyrrolidinol2799-21-539 % similar 3-Pyrrolidinol40499-83-039 % similar Decahydroisoquinoline6329-61-938 % similar D-Beta-Prolinol110013-18-836 % similar

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

Elsewhere

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