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
External Identifiers
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
EstimatedEstimated / 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
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary 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.
Related products and analog discovery will be available as catalog graph data is expanded.