2-(2-fluorophenyl)pyrrolidine

• ChemBase ID: 52640
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: N1C(CCC1)c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1C1CCCN1
• InChI: InChI=1S/C10H12FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
• InChIKey: NOJCVVKIBLHAGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)pyrrolidine
• IUPAC Traditional name: 2-(2-fluorophenyl)pyrrolidine
• Synonyms: 2-(2-Fluorophenyl)pyrrolidine

Database IDs

• CAS Number: 72216-04-7
• MDL Number: MFCD02663474
• PubChem SID: 162057403
• PubChem CID: 3613306

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• 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

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%