1-Azabicyclo[2.2.2]Octan-8-Yl 2-[4-(Fluoromethyl)Phenyl]-2-Hydroxy-2-Phenylacetate
[CAS# 168104-70-9]

Identification

• Name: 1-Azabicyclo[2.2.2]Octan-8-Yl 2-[4-(Fluoromethyl)Phenyl]-2-Hydroxy-2-Phenylacetate
• Synonyms: Quinuclidin-3-Yl 2-[4-(Fluoromethyl)Phenyl]-2-Hydroxy-2-Phenyl-Acetate; 2-[4-(Fluoromethyl)Phenyl]-2-Hydroxy-2-Phenylacetic Acid 3-Quinuclidinyl Ester; 2-[4-(Fluoromethyl)Phenyl]-2-Hydroxy-2-Phenyl-Acetic Acid Quinuclidin-3-Yl Ester
• Molecular Formula: C₂₂H₂₄FNO₃
• Molecular Weight: 369.43
• CAS Registry Number: 168104-70-9
• SMILES: C4=C(C(O)(C(OC1C2CCN(C1)CC2)=O)C3=CC=CC=C3)C=CC(=C4)CF
• InChI: 1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2
• InChIKey: WYNSCFORRAXQPA-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 464.419°C at 760 mmHg (Cal.)
• Flash point: 234.672°C (Cal.)