2-fluoro-5-iodoaniline

• ChemBase ID: 98914
• Molecular Formular: C6H5FIN
• Molecular Mass: 237.0134732
• Monoisotopic Mass: 236.94507539
• SMILES: Fc1c(cc(cc1)I)N
• Canonical SMILES: Ic1ccc(c(c1)N)F
• InChI: InChI=1S/C6H5FIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
• InChIKey: XNFXQUHUFXJVSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-iodoaniline
• IUPAC Traditional name: 2-fluoro-5-iodoaniline
• Synonyms: 2-Fluoro-5-iodoaniline; 2-Fluoro-5-iodo-phenylamine; Benzenamine, 2-fluoro-5-iodo-

Database IDs

• CAS Number: 886362-82-9; 29632-74-4
• PubChem SID: 162085244
• PubChem CID: 25418460

CALCULATED PROPERTIES

• Acid pKa: 18.540068
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2158954
• LogD (pH = 7.4): 2.2159653
• Log P: 2.2159662
• Molar Refractivity: 44.3373 cm^3
• Polarizability: 16.505638 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%