4-chloro-6-iodo-2-(trifluoromethyl)quinoline

• ChemBase ID: 281489
• Molecular Formular: C10H4ClF3IN
• Molecular Mass: 357.4981396
• Monoisotopic Mass: 356.90290947
• SMILES: n1c(C(F)(F)F)cc(c2c1ccc(c2)I)Cl
• Canonical SMILES: Ic1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
• InChI: InChI=1S/C10H4ClF3IN/c11-7-4-9(10(12,13)14)16-8-2-1-5(15)3-6(7)8/h1-4H
• InChIKey: FWWIGMZXSVMVEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-iodo-2-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-chloro-6-iodo-2-(trifluoromethyl)quinoline
• Synonyms: 4-chloro-6-iodo-2-(trifluoromethyl)quinoline

Database IDs

• MDL Number: MFCD08448247
• PubChem SID: 180667020
• PubChem CID: 43668382

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9275885
• LogD (pH = 7.4): 4.9275885
• Log P: 4.9275885
• Molar Refractivity: 63.7483 cm^3
• Polarizability: 25.331778 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.932

Product Information

• Purity: 95%