Active Chemical RecordCatalog PreviewCatalog ready

N-(2,2,2-Trifluoroethyl)valine

CAS 271592-91-7Formula C7H12F3NO2MW 199.17PubChem 43468280

N-(2,2,2-Trifluoroethyl)valine is a trifluoroethyl-substituted valine derivative, functioning as a chiral building block or intermediate in organic synthesis. Its unique structure, combining a trifluoroethyl group with the valine amino acid backbone, makes it valuable for introducing fluorine atoms and chiral centers into target molecules, particularly in pharmaceutical and agrochemical research.

Loading RDKit molecule structure...
InChIKey: YBRYPNRAJJRLFW-UHFFFAOYSA-NC7H12F3NO2 | MW 199.17

Chemical Identity

Molecular Formula

C7H12F3NO2

Molecular Weight

199.17 g/mol

Exact Mass

199.082013

PubChem CID

43468280

IUPAC Name

3-methyl-2-(2,2,2-trifluoroethylamino)butanoic acid

SMILES String

CC(C)C(NCC(F)(F)F)C(=O)O

Names & Synonyms

3-methyl-2-[(2,2,2-trifluoroethyl)amino]butanoic acid(2,2,2-Trifluoroethyl)-DL-valineZ425417754
External Identifiers
DTXSID70656078MFCD12176650AKOS009502605BS-12298EN300-88770

Catalog Overview

N-(2,2,2-Trifluoroethyl)valine, identified by CAS 271592-91-7, is a synthetic amino acid derivative with the molecular formula C7H12F3NO2 and a molecular weight of 199. 17 g/mol. This compound features a valine backbone where the amino group is N-substituted with a 2,2,2-trifluoroethyl moiety. The presence of the trifluoroethyl group imparts unique physicochemical properties, including increased lipophilicity and metabolic stability, which are often desirable in drug discovery and development.

Use Context

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

N-(2,2,2-Trifluoroethyl)valine, identified by CAS 271592-91-7, is a synthetic amino acid derivative with the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. This compound features a valine backbone where the amino group is N-substituted with a 2,2,2-trifluoroethyl moiety. The presence of the trifluoroethyl group imparts unique physicochemical properties, including increased lipophilicity and metabolic stability, which are often desirable in drug discovery and development. As a functionalized intermediate, it serves as a versatile chiral building block for the synthesis of complex organic molecules, including peptides, peptidomimetics, and other biologically active compounds. Its utility lies in its ability to introduce both a chiral center and a trifluoromethyl group into target structures, making it relevant in medicinal chemistry, agrochemistry, and materials science research.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white crystalline solid

Physical State

solid

Melting Point

155.0 °C

Boiling Point

270.0 °C

Density

1.29 g/cm³

Water Solubility

soluble

Flash Point

99.0 °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 N-(2,2,2-Trifluoroethyl)valine in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. In case of contact, rinse thoroughly with water. Consult the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, tightly sealed, away from incompatible materials.

Related Products / Graph Discovery

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

Similar products (text references)

136030-50-7CAS 136030-50-7

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 29224980GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.