1-(2,4-difluorophenyl)pyrrolidine

• ChemBase ID: 291030
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: Fc1ccc(N2CCCC2)c(F)c1
• Canonical SMILES: Fc1ccc(c(c1)F)N1CCCC1
• InChI: InChI=1S/C10H11F2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
• InChIKey: HGVQHODWFJESQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-difluorophenyl)pyrrolidine
• IUPAC Traditional name: 1-(2,4-difluorophenyl)pyrrolidine
• Synonyms: 1-(2,4-Difluorophenyl)pyrrolidine

Database IDs

• CAS Number: 1334499-91-0
• PubChem SID: 180676561
• PubChem CID: 22638163

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7724855
• LogD (pH = 7.4): 2.772491
• Log P: 2.772491
• Molar Refractivity: 48.4604 cm^3
• Polarizability: 17.477116 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%