structure of 3-(3-fluorobenzyl)pyrrolidine

3-(3-fluorobenzyl)pyrrolidine

CAS No.: 1000198-80-0
M. Wt: 179.23400
M. Fa: C11H14FN
InChI Key: NCVRSFIRKVTHDU-UHFFFAOYSA-N

Names and Identifiers of 3-(3-fluorobenzyl)pyrrolidine

CAS Number

1000198-80-0

MDL Number

MFCD07383467

IUPAC Name

3-[(3-fluorophenyl)methyl]pyrrolidine

InChI

InChI=1S/C11H14FN/c12-11-3-1-2-9(7-11)6-10-4-5-13-8-10/h1-3,7,10,13H,4-6,8H2

InChIKey

NCVRSFIRKVTHDU-UHFFFAOYSA-N

Canonical SMILES

FC1=CC=CC(CC2CCNC2)=C1

UNSPSC Code

12352100

Physical and chemical properties of 3-(3-fluorobenzyl)pyrrolidine

Exact Mass

179.11100

H Bond Acceptors

1

H Bond Donors

1

LogP

2.30650

Molecular Formula

C11H14FN

Molecular Weight

179.23400

PSA

12.03000

Safety Information of 3-(3-fluorobenzyl)pyrrolidine

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 3-(3-fluorobenzyl)pyrrolidine

The applications of 3-[(3-Fluorophenyl)methyl]pyrrolidine span various fields:

  • Pharmaceuticals: As a building block in drug design and development, it may serve as a scaffold for creating new therapeutic agents targeting various diseases.
  • Chemical research: Its unique properties make it a subject of study in organic chemistry and medicinal chemistry for understanding structure-activity relationships.
  • Material science: Potential uses in developing new materials due to its unique electronic properties imparted by the fluorine substituent.

Interaction Studies of 3-(3-fluorobenzyl)pyrrolidine

Studies involving 3-[(3-Fluorophenyl)methyl]pyrrolidine have focused on its interactions with biological targets:

  • Protein binding studies: Understanding how this compound interacts with proteins can elucidate its mechanism of action and efficacy as a drug candidate.
  • Receptor binding assays: Investigating binding affinities to various receptors helps determine its potential therapeutic uses and side effects.

These interaction studies are critical for assessing the safety and efficacy profiles of this compound.

Biological Activity of 3-(3-fluorobenzyl)pyrrolidine

Research has indicated that compounds containing pyrrolidine rings exhibit significant biological activities, including:

  • Antimicrobial properties: Pyrrolidine derivatives have been shown to possess antimicrobial effects, potentially useful in treating infections.
  • CNS activity: Some studies suggest that pyrrolidine compounds can interact with central nervous system targets, indicating potential as anxiolytics or antidepressants.
  • Enzyme inhibition: Certain derivatives have been identified as inhibitors of specific enzymes, which could be beneficial in various therapeutic contexts.

The biological activities associated with 3-[(3-Fluorophenyl)methyl]pyrrolidine suggest its potential utility in drug development.

Retrosynthesis analysis of 3-(3-fluorobenzyl)pyrrolidine

  • Route#1

    Cas:768-35-4
    Cas:1000198-80-0