1-(2-fluoro-6-nitrophenyl)pyrrolidine

• ChemBase ID: 288750
• Molecular Formular: C10H11FN2O2
• Molecular Mass: 210.2049432
• Monoisotopic Mass: 210.08045582
• SMILES: O=[N+](c1c(N2CCCC2)c(F)ccc1)[O-]
• Canonical SMILES: Fc1cccc(c1N1CCCC1)[N+](=O)[O-]
• InChI: InChI=1S/C10H11FN2O2/c11-8-4-3-5-9(13(14)15)10(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2
• InChIKey: QJQZIIGCNJGTMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluoro-6-nitrophenyl)pyrrolidine
• IUPAC Traditional name: 1-(2-fluoro-6-nitrophenyl)pyrrolidine
• Synonyms: 1-(2-Fluoro-6-nitrophenyl)pyrrolidine

Database IDs

• CAS Number: 1233952-03-8
• PubChem SID: 180674281
• PubChem CID: 53255583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5697732
• LogD (pH = 7.4): 2.5697732
• Log P: 2.5697732
• Molar Refractivity: 54.5645 cm^3
• Polarizability: 19.717909 Å^3
• Polar Surface Area: 46.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%