Rac-tert-butyl N-[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]carbamate

• CAS: 1260602-03-6
• Catalog Number: ACM1260602036
• Category: Chiral Molecules
• Molecular Weight: 280.34
• Molecular Formula: C15H21FN2O2
• Synonyms: Rac-tert-butyl N-[(3R,4S)-4-(2-fluorophenyl)pyrrolidin-3-yl]carbamate, trans
• IUPAC Name: Tert-butyl N-[(3S,4R)-4-(2-fluorophenyl)pyrrolidin-3-yl]carbamate
• Canonical SMILES: CC(C)(C)OC(=O)NC1CNCC1C2=CC=CC=C2F
• InChI: InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-13-9-17-8-11(13)10-6-4-5-7-12(10)16/h4-7,11,13,17H,8-9H2,1-3H3,(H,18,19)/t11-,13+/m0/s1
• InChI Key: XIPNTDCDXQQQDR-WCQYABFASA-N
• Complexity: 343
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 280.15870608
• Heavy Atom Count: 20
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CC=CC=C2F
• Monoisotopic Mass: 280.15870608
• Physical State: Solid
• Topological Polar Surface Area: 50.4 Ų