2-(4-fluorophenyl)pyrrolidine

• ChemBase ID: 100366
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: N1CCCC1c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1CCCN1
• InChI: InChI=1S/C10H12FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
• InChIKey: ZDCXMSDSTZZWAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(4-fluorophenyl)pyrrolidine
• Synonyms: 4-(Pyrrolidin-2-yl)fluorobenzene; 2-(4-Fluorophenyl)pyrrolidine

Database IDs

• CAS Number: 72216-06-9
• MDL Number: MFCD02663411
• PubChem SID: 162086383
• PubChem CID: 3865560

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.094083
• LogD (pH = 7.4): -0.7059729
• Log P: 2.139861
• Molar Refractivity: 46.7336 cm^3
• Polarizability: 18.134987 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

Safety Information

• Storage Warning: Irritant/Keep Cold

Product Information

• Purity: 95%; 98%