structure of 3-[4-(Trifluoromethyl)phenyl]pyrrolidine

3-[4-(Trifluoromethyl)phenyl]pyrrolidine

CAS No.: 1000198-76-4
M. Wt: 215.215
M. Fa: C11H12F3N
InChI Key: MMHBTMCYKWWNNS-UHFFFAOYSA-N

Names and Identifiers of 1000198-76-4

CAS Number

1000198-76-4

EC Number

819-622-6

MDL Number

MFCD12407011

IUPAC Name

3-[4-(trifluoromethyl)phenyl]pyrrolidine

InChI

InChI=1S/C11H12F3N/c12-11(13,14)10-3-1-8(2-4-10)9-5-6-15-7-9/h1-4,9,15H,5-7H2

InChIKey

MMHBTMCYKWWNNS-UHFFFAOYSA-N

Canonical SMILES

C1CNCC1C2=CC=C(C=C2)C(F)(F)F

UNSPSC Code

12352100

Physical and chemical properties of 1000198-76-4

Acidity coefficient

9.87±0.10(Predicted)

Boiling Point

259.7±40.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Exact Mass

215.092178

Flash Point

110.9±27.3 °C

Index of Refraction

1.473

LogP

2.24

Molecular Formula

C11H12F3N

Molecular Weight

215.215

PSA

12.03000

Vapour Pressure

0.0±0.5 mmHg at 25°C

Safety Information of 1000198-76-4

Pictograms

Signal Word

 Warning

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

Applications of 1000198-76-4

3-[4-(Trifluoromethyl)phenyl]pyrrolidine has several applications in medicinal chemistry and material science:

  • Pharmaceutical Development: Due to its potential antimalarial properties, this compound may serve as a lead structure for developing new antimalarial drugs.
  • Chemical Probes: It can be utilized as a chemical probe in biological studies to investigate molecular interactions and pathways.
  • Material Science: The unique properties imparted by the trifluoromethyl group make it a candidate for developing advanced materials with specific functionalities.

Interaction Studies of 1000198-76-4

Studies on 3-[4-(Trifluoromethyl)phenyl]pyrrolidine have revealed its interactions with various biomolecules. Research indicates that it may act as an inhibitor for certain cytochrome P450 enzymes, particularly CYP2D6, which is crucial for drug metabolism. Understanding these interactions is vital for predicting pharmacokinetic profiles and potential drug-drug interactions.

Biological Activity of 1000198-76-4

Research indicates that compounds containing trifluoromethyl groups often exhibit significant biological activities. Specifically, 3-[4-(Trifluoromethyl)phenyl]pyrrolidine has been evaluated for its potential as an antimalarial agent. The incorporation of the trifluoromethyl group enhances the lipophilicity and bioavailability of the compound, which may lead to improved efficacy against malaria parasites. Furthermore, studies suggest that such compounds can interact with various biological targets, influencing pathways related to cell signaling and metabolism.