(2-fluoro-5-iodophenyl)methanamine

• ChemBase ID: 98956
• Molecular Formular: C7H7FIN
• Molecular Mass: 251.0400532
• Monoisotopic Mass: 250.96072545
• SMILES: NCc1c(ccc(c1)I)F
• Canonical SMILES: NCc1cc(I)ccc1F
• InChI: InChI=1S/C7H7FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,4,10H2
• InChIKey: CBVLPPDEQWTZHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-5-iodophenyl)methanamine
• IUPAC Traditional name: (2-fluoro-5-iodophenyl)methanamine
• Synonyms: (2-Fluoro-5-iodophenyl)methylamine; 2-Fluoro-5-iodobenzylamine

Database IDs

• PubChem SID: 162105201
• PubChem CID: 45933738

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7156949
• LogD (pH = 7.4): 0.64307404
• Log P: 2.1706607
• Molar Refractivity: 48.1103 cm^3
• Polarizability: 18.618305 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Light Sensitive