3-(3-fluorophenyl)pyrrolidine

• ChemBase ID: 270896
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: c1(cc(F)ccc1)C1CNCC1
• Canonical SMILES: Fc1cccc(c1)C1CNCC1
• InChI: InChI=1S/C10H12FN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2
• InChIKey: RQGYSXVZGVZRPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluorophenyl)pyrrolidine
• IUPAC Traditional name: 3-(3-fluorophenyl)pyrrolidine
• Synonyms: 3-(3-fluorophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD09027612
• PubChem SID: 164326806
• PubChem CID: 15029932

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3844852
• LogD (pH = 7.4): -1.1900842
• Log P: 1.8543978
• Molar Refractivity: 47.0174 cm^3
• Polarizability: 18.0605 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.077

Product Information

• Purity: 95%