(4-fluorophenyl)(2-iodophenyl)methanamine hydrochloride

• ChemBase ID: 266522
• Molecular Formular: C13H12ClFIN
• Molecular Mass: 363.5969532
• Monoisotopic Mass: 362.96870329
• SMILES: c1(C(c2ccc(cc2)F)N)c(I)cccc1.Cl
• Canonical SMILES: Fc1ccc(cc1)C(c1ccccc1I)N.Cl
• InChI: InChI=1S/C13H11FIN.ClH/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15;/h1-8,13H,16H2;1H
• InChIKey: UCDQVPGTIKIOSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(2-iodophenyl)methanamine hydrochloride
• IUPAC Traditional name: (4-fluorophenyl)(2-iodophenyl)methanamine hydrochloride
• Synonyms: (4-fluorophenyl)(2-iodophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD16040013
• PubChem SID: 164322432
• PubChem CID: 47002726

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1138589
• LogD (pH = 7.4): 2.5599246
• Log P: 3.9549007
• Molar Refractivity: 72.3931 cm^3
• Polarizability: 28.000376 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 266 - 268°C
• Hydrophobicity(logP): 3.408

Product Information

• Purity: 95%