Description

N-[4-cyano-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CAS No. 1155800-45-5) is a high-purity fluorinated organic compound with the molecular formula C₁₀H₄F₆N₂O. This specialized chemical features a trifluoroacetamide group bonded to a cyano-substituted phenyl ring, making it a valuable intermediate for pharmaceutical and agrochemical research. Its unique trifluoromethyl and cyano functionalities enhance reactivity and selectivity in synthetic applications. The compound is supplied as a crystalline solid with >95% purity (HPLC), ensuring consistency for advanced research. Ideal for use in nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for bioactive molecules. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 1155800-45-5
• Complexity: 393
• IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2,2,2-trifluoro-acetamide
• InChI: InChI=1S/C10H4F6N2O/c11-9(12,13)7-3-6(2-1-5(7)4-17)18-8(19)10(14,15)16/h1-3H,(H,18,19)
• InChI Key: WHJWLBKVUGJDIT-UHFFFAOYSA-N
• Exact Mass: 282.02278173
• Molecular Formula: C10H4F6N2O
• Molecular Weight: 282.14
• SMILES: C1=CC(=C(C=C1NC(=O)C(F)(F)F)C(F)(F)F)C#N
• Topological: 52.9
• Monoisotopic Mass: 282.02278173
• Synonyms: 1155800-45-5, N-[4-cyano-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide, 4-Cyano-3-(trifluoromethyl)trifluoroacetanilide, N-(4-Cyano-3-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide, MFCD18074383, SCHEMBL2980069, WHJWLBKVUGJDIT-UHFFFAOYSA-N, AC9100, Acetamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-2,2,2-trifluoro-, AKOS014820780, BS-14488, SY262808, DB-320778, CS-0163447

Application

N-[4-cyano-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly androgen receptor modulators. Its electron-withdrawing groups facilitate electrophilic aromatic substitution reactions in drug discovery. Researchers utilize this compound to develop novel agrochemicals with enhanced metabolic stability. The trifluoromethyl moiety improves lipophilicity for CNS-targeting compounds.

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