2-(2,6-dichlorophenyl)pyrrolidine

• ChemBase ID: 270275
• Molecular Formular: C10H11Cl2N
• Molecular Mass: 216.10704
• Monoisotopic Mass: 215.02685472
• SMILES: c1(C2NCCC2)c(Cl)cccc1Cl
• Canonical SMILES: Clc1cccc(c1C1CCCN1)Cl
• InChI: InChI=1S/C10H11Cl2N/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2
• InChIKey: DVMVRBKARAKTQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)pyrrolidine
• Synonyms: 2-(2,6-dichlorophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD02663463
• PubChem SID: 164326185
• PubChem CID: 5012111

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.089739434
• LogD (pH = 7.4): 1.4019253
• Log P: 3.2052486
• Molar Refractivity: 56.1268 cm^3
• Polarizability: 22.232199 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.36

Product Information

• Purity: 95%