2-(2-fluorophenyl)pyrrolidine hydrochloride

• ChemBase ID: 806691
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: Cl.N1C(CCC1)c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1C1CCCN1.Cl
• InChI: InChI=1S/C10H12FN.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-2,4-5,10,12H,3,6-7H2;1H
• InChIKey: IPMVOKVJJJVBGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 2-(2-fluorophenyl)pyrrolidine hydrochloride
• Synonyms: 2-(2-FLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 1197227-16-9

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.0706236
• LogD (pH = 7.4): -0.2593957
• Log P: 2.139861
• Molar Refractivity: 46.7336 cm^3
• Polarizability: 18.134829 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Product Information

• Purity: 98%