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2-Fluoro-6-(trifluoromethyl)-DL-phenylalanine

CAS 1043500-58-8Formula C10H9F4NO2MW 251.18PubChem 3681555

2-Fluoro-6-(trifluoromethyl)-DL-phenylalanine is a fluorinated and trifluoromethylated derivative of phenylalanine. This compound is primarily for research use, serving as a potential amino acid analog, building block for peptides, or for studies involving fluorinated compounds in medicinal chemistry and biochemical research.

Loading RDKit molecule structure...
InChIKey: KZEQREVOLXIGHG-UHFFFAOYSA-NC10H9F4NO2 | MW 251.18

Chemical Identity

Molecular Formula

C10H9F4NO2

Molecular Weight

251.18 g/mol

Exact Mass

251.056941

PubChem CID

3681555

IUPAC Name

2-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propanoic acid

SMILES String

NC(Cc1c(F)cccc1C(F)(F)F)C(=O)O

Names & Synonyms

2-Amino-3-(2-fluoro-6-(trifluoromethyl)phenyl)propanoic acidKZEQREVOLXIGHG-UHFFFAOYSA-N2-Amino-3-(2-fluoro-6-(trifluoromethyl)phenyl)propanoicacid2-amino-3-[6-fluoro-2-(trifluoromethyl)phenyl]propanoic acid2-Fluoro-6-(trifluoromethyl)-DL-phenylalanine (H-DL-Phe(2-F,6-CF3)-OH)
External Identifiers
MFCD04115999SBB100910AKOS015956772CS-0365028

Catalog Overview

2-Fluoro-6-(trifluoromethyl)-DL-phenylalanine is a synthetic amino acid derivative featuring a phenylalanine backbone substituted with a fluorine atom at the 2-position and a trifluoromethyl group at the 6-position of the phenyl ring. With a molecular formula of C10H9F4NO2 and a molecular weight of 251. 18, this compound is classified within the 'druglike_bioactive_like' structural bucket, indicating its potential relevance in drug discovery and development. As a DL-phenylalanine derivative, it represents a racemic mixture of both D- and L-enantiomers.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-Fluoro-6-(trifluoromethyl)-DL-phenylalanine is a synthetic amino acid derivative featuring a phenylalanine backbone substituted with a fluorine atom at the 2-position and a trifluoromethyl group at the 6-position of the phenyl ring. With a molecular formula of C10H9F4NO2 and a molecular weight of 251.18, this compound is classified within the 'druglike_bioactive_like' structural bucket, indicating its potential relevance in drug discovery and development. As a DL-phenylalanine derivative, it represents a racemic mixture of both D- and L-enantiomers. The incorporation of fluorine and trifluoromethyl groups can significantly alter the physicochemical properties, metabolic stability, and biological activity of the parent phenylalanine, making it a valuable tool for researchers investigating structure-activity relationships, developing novel peptide mimetics, or exploring the impact of fluorination in biological systems. It is intended for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline powder

Physical State

solid

Melting Point

180.0 °C

Boiling Point

350.0 °C

Density

1.4 g/cm³

Water Solubility

soluble

Flash Point

200.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE) including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Related products and analog discovery will be available as catalog graph data is expanded.