2,4-difluoro-6-iodoaniline

• ChemBase ID: 97283
• Molecular Formular: C6H4F2IN
• Molecular Mass: 255.0039364
• Monoisotopic Mass: 254.93565357
• SMILES: Nc1c(cc(cc1I)F)F
• Canonical SMILES: Fc1cc(F)c(c(c1)I)N
• InChI: InChI=1S/C6H4F2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
• InChIKey: IPXQDOGSRPHRAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoro-6-iodoaniline
• IUPAC Traditional name: 2,4-difluoro-6-iodoaniline
• Synonyms: 2-Amino-3,5-difluoroiodobenzene; 2,4-Difluoro-6-iodoaniline

Database IDs

• MDL Number: MFCD08059536
• PubChem SID: 162083894
• PubChem CID: 26985827

CALCULATED PROPERTIES

• Acid pKa: 17.138256
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3586545
• LogD (pH = 7.4): 2.358668
• Log P: 2.3586683
• Molar Refractivity: 44.5537 cm^3
• Polarizability: 16.444925 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Keep Cold