Trans-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid

• Catalog Number: ACM1049975918-1
• Product Name: Trans-4-(2-fluorophenyl)pyrrolidine-3-carboxylic acid
• CAS: 1049975-91-8
• Category: Chiral Molecules
• Synonyms: Rac-(3R,4S)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid
• IUPAC Name: (3S,4R)-4-(2-Fluorophenyl)pyrrolidine-3-carboxylic acid
• Molecular Weight: 209.22
• Molecular Formula: C11H12FNO2
• Canonical SMILES: C1C(C(CN1)C(=O)O)C2=CC=CC=C2F
• InChI: InChI=1S/C11H12FNO2/c12-10-4-2-1-3-7(10)8-5-13-6-9(8)11(14)15/h1-4,8-9,13H,5-6H2,(H,14,15)/t8-,9+/m0/s1
• InChI Key: YVTADGCUSGBFIQ-DTWKUNHWSA-N
• Complexity: 247
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 209.08520679
• Heavy Atom Count: 15
• Isomeric SMILES: C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=CC=C2F
• Monoisotopic Mass: 209.08520679
• Physical State: Solid
• Topological Polar Surface Area: 49.3 Ų