2-(4-iodophenyl)pyrrolidine

• ChemBase ID: 284951
• Molecular Formular: C10H12IN
• Molecular Mass: 273.11345
• Monoisotopic Mass: 273.00144739
• SMILES: N1C(c2ccc(cc2)I)CCC1
• Canonical SMILES: Ic1ccc(cc1)C1CCCN1
• InChI: InChI=1S/C10H12IN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
• InChIKey: RJUPNYAFIYEVMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-iodophenyl)pyrrolidine
• IUPAC Traditional name: 2-(4-iodophenyl)pyrrolidine
• Synonyms: 2-(4-iodophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663431
• PubChem SID: 180670482
• PubChem CID: 3583204

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.30953926
• LogD (pH = 7.4): 0.02143678
• Log P: 2.9261036
• Molar Refractivity: 59.8797 cm^3
• Polarizability: 23.516306 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.057

Product Information

• Purity: 95%