(3R)-3-(4-fluorophenyl)pyrrolidine

• ChemBase ID: 801113
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: N1C[C@H](CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)[C@@H]1CNCC1
• InChI: InChI=1S/C10H12FN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9,12H,5-7H2/t9-/m0/s1
• InChIKey: IWOQWISAVOSATC-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-(4-fluorophenyl)pyrrolidine
• IUPAC Traditional name: (3R)-3-(4-fluorophenyl)pyrrolidine
• Synonyms: (3R)-3-(4-FLUOROPHENYL)PYRROLIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3848908
• LogD (pH = 7.4): -1.2111542
• Log P: 1.8543978
• Molar Refractivity: 47.0174 cm^3
• Polarizability: 18.060102 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%