2-(chloromethyl)-6-fluoroquinoline

• ChemBase ID: 802186
• Molecular Formular: C10H7ClFN
• Molecular Mass: 195.6206832
• Monoisotopic Mass: 195.02510513
• SMILES: c1cc2c(cc1F)ccc(n2)CCl
• Canonical SMILES: ClCc1ccc2c(n1)ccc(c2)F
• InChI: InChI=1S/C10H7ClFN/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h1-5H,6H2
• InChIKey: TYLAXVCCIGSMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-fluoroquinoline
• IUPAC Traditional name: 2-(chloromethyl)-6-fluoroquinoline
• Synonyms: 2-(CHLOROMETHYL)-6-FLUOROQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9416833
• LogD (pH = 7.4): 2.9423084
• Log P: 2.9423163
• Molar Refractivity: 49.5404 cm^3
• Polarizability: 20.24385 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%