1-(4-fluoro-2-nitrophenyl)pyrrolidine

• ChemBase ID: 93213
• Molecular Formular: C10H11FN2O2
• Molecular Mass: 210.2049432
• Monoisotopic Mass: 210.08045582
• SMILES: Fc1ccc(c(c1)[N+](=O)[O-])N1CCCC1
• Canonical SMILES: Fc1ccc(c(c1)[N+](=O)[O-])N1CCCC1
• InChI: InChI=1S/C10H11FN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
• InChIKey: PSUGFUCCTASXGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluoro-2-nitrophenyl)pyrrolidine
• IUPAC Traditional name: 1-(4-fluoro-2-nitrophenyl)pyrrolidine
• Synonyms: 1-(4-Fluoro-2-nitrophenyl)pyrrolidine

Database IDs

• MDL Number: MFCD00798372
• PubChem SID: 162079898
• PubChem CID: 2737438

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.569763
• LogD (pH = 7.4): 2.5697732
• Log P: 2.5697732
• Molar Refractivity: 55.5687 cm^3
• Polarizability: 19.716745 Å^3
• Polar Surface Area: 49.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant