2-(3,5-dichlorophenyl)pyrrolidine

• ChemBase ID: 76067
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: N1CCCC1c1cc(cc(c1)Cl)Cl
• Canonical SMILES: Clc1cc(cc(c1)Cl)C1CCCN1
• InChI: InChI=1S/C10H11Cl2N/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2
• InChIKey: RGJUGOHYPAYSDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dichlorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(3,5-dichlorophenyl)pyrrolidine
• Synonyms: 2-(3,5-Dichlorophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD02684093
• PubChem SID: 162040985
• PubChem CID: 3677656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.025090253
• LogD (pH = 7.4): 0.46334377
• Log P: 3.2052486
• Molar Refractivity: 56.1268 cm^3
• Polarizability: 22.223675 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold