3-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]Ethyl]Benzooxazol-2-One
[CAS# 81513-96-4]

Identification

• Name: 3-[2-[4-[3-(Trifluoromethyl)Phenyl]Piperazin-1-Yl]Ethyl]Benzooxazol-2-One
• Synonyms: 3-[2-[4-[3-(Trifluoromethyl)Phenyl]-1-Piperazinyl]Ethyl]-1,3-Benzoxazol-2-One; 2(3H)-Benzoxazolone, 3-(2-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Ethyl)-; 3-(2-(4-(3-(Trifluoromethyl)Phenyl)-1-Piperazinyl)Ethyl)-2(3H)-Benzoxazolone
• Molecular Formula: C₂₀H₂₀F₃N₃O₂
• Molecular Weight: 391.39
• CAS Registry Number: 81513-96-4
• SMILES: C2=C1N(C(OC1=CC=C2)=O)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
• InChI: 1S/C20H20F3N3O2/c21-20(22,23)15-4-3-5-16(14-15)25-11-8-24(9-12-25)10-13-26-17-6-1-2-7-18(17)28-19(26)27/h1-7,14H,8-13H2
• InChIKey: XSYHGQBDXPLCNF-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 503.612°C at 760 mmHg (Cal.)
• Flash point: 258.376°C (Cal.)