(E)-1-Phenyl-3-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]But-2-En-1-One
[CAS# 76691-04-8]

Identification

• Name: (E)-1-Phenyl-3-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]But-2-En-1-One
• Synonyms: (E)-1-Phenyl-3-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]But-2-En-1-One; 1-Phenyl-3-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)-2-Buten-1-One; 2-Buten-1-One, 1-Phenyl-3-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)-
• Molecular Formula: C₂₁H₂₁F₃N₂O
• Molecular Weight: 374.40
• CAS Registry Number: 76691-04-8
• SMILES: C1=C(C=CC=C1N3CCN(C(=C/C(=O)C2=CC=CC=C2)/C)CC3)C(F)(F)F
• InChI: 1S/C21H21F3N2O/c1-16(14-20(27)17-6-3-2-4-7-17)25-10-12-26(13-11-25)19-9-5-8-18(15-19)21(22,23)24/h2-9,14-15H,10-13H2,1H3/b16-14+
• InChIKey: JNBPYPPEXHHADE-JQIJEIRASA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 475.216°C at 760 mmHg (Cal.)
• Flash point: 241.202°C (Cal.)