2-(2,5-difluorophenyl)pyrrolidine

• ChemBase ID: 52637
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: c1cc(cc(c1F)C1NCCC1)F
• Canonical SMILES: Fc1ccc(c(c1)C1CCCN1)F
• InChI: InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
• InChIKey: NCXSNNVYILYEBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-difluorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(2,5-difluorophenyl)pyrrolidine
• Synonyms: 2-(2,5-Difluorophenyl)pyrrolidine

Database IDs

• CAS Number: 886503-15-7
• MDL Number: MFCD05189458
• PubChem SID: 162057400
• PubChem CID: 24697858

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.90426624
• LogD (pH = 7.4): 0.108691484
• Log P: 2.282563
• Molar Refractivity: 46.95 cm^3
• Polarizability: 17.837162 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%