bis(6-fluoro-2-methylquinoline) dichlorozinc dihydrochloride

• ChemBase ID: 95277
• Molecular Formular: C20H18Cl4F2N2Zn
• Molecular Mass: 531.5591264
• Monoisotopic Mass: 527.94835775
• SMILES: n1c(ccc2c1ccc(c2)F)C.n1c(ccc2c1ccc(c2)F)C.[Zn](Cl)Cl.Cl.Cl
• Canonical SMILES: Fc1ccc2c(c1)ccc(n2)C.Fc1ccc2c(c1)ccc(n2)C.Cl[Zn]Cl.Cl.Cl
• InChI: InChI=1S/2C10H8FN.4ClH.Zn/c2*1-7-2-3-8-6-9(11)4-5-10(8)12-7;;;;;/h2*2-6H,1H3;4*1H;/q;;;;;;+2/p-2
• InChIKey: HILFBQDBKOIYMH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(6-fluoro-2-methylquinoline) dichlorozinc dihydrochloride
• IUPAC Traditional name: bis(6-fluoro-2-methylquinoline) zinc chloride dihydrochloride
• Synonyms: 6-Fluoro-2-methylquinolinehydrochloride1/2zincchloride

Database IDs

• MDL Number: MFCD00105022
• PubChem SID: 162081927
• PubChem CID: 2779485

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3803806
• LogD (pH = 7.4): 2.4046538
• Log P: 2.4049726
• Molar Refractivity: 44.7872 cm^3
• Polarizability: 18.363722 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false