2-(3,4-difluorophenyl)pyrrolidine

• ChemBase ID: 811253
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: N1C(CCC1)c1cc(c(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1F)C1CCCN1
• InChI: InChI=1S/C10H11F2N/c11-8-4-3-7(6-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
• InChIKey: SZPJRABUCTXGIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(3,4-difluorophenyl)pyrrolidine
• Synonyms: 2-(3,4-DIFLUOROPHENYL)PYRROLIDINE

Database IDs

• CAS Number: 298690-75-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9448319
• LogD (pH = 7.4): -0.3893152
• Log P: 2.282563
• Molar Refractivity: 46.95 cm^3
• Polarizability: 17.834837 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%