Methyl (1S,2S,3S,5R)-3-[Bis(4-Fluorophenyl)Methoxy]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
[CAS# 156774-35-5]

Identification

• Name: Methyl (1S,2S,3S,5R)-3-[Bis(4-Fluorophenyl)Methoxy]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
• Synonyms: (1S,2S,3S,5R)-3-[Bis(4-Fluorophenyl)Methoxy]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; 2-Carbomethoxy-3-(Bis(4-Fluorophenyl)Methoxy)Tropane; Difluoropine
• Molecular Formula: C₂₃H₂₅F₂NO₃
• Molecular Weight: 401.45
• CAS Registry Number: 156774-35-5
• SMILES: [C@@H]34N([C@@H](C[C@H](OC(C1=CC=C(F)C=C1)C2=CC=C(F)C=C2)[C@H]3C(OC)=O)CC4)C
• InChI: 1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18-,19+,20+,21+/m1/s1
• InChIKey: XSYGBVSQKPLETJ-ANULTFPQSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 460.958°C at 760 mmHg (Cal.)
• Flash point: 232.58°C (Cal.)