8-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 256893
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: c12c(cc(cc1CCCN2)C)F
• Canonical SMILES: Cc1cc2CCCNc2c(c1)F
• InChI: InChI=1S/C10H12FN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h5-6,12H,2-4H2,1H3
• InChIKey: YALAGFGALCWJBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 8-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
• Synonyms: 8-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD09739536
• PubChem SID: 164312803
• PubChem CID: 16792731

CALCULATED PROPERTIES

• Acid pKa: 18.9448
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5747628
• LogD (pH = 7.4): 2.5864534
• Log P: 2.5866044
• Molar Refractivity: 49.42 cm^3
• Polarizability: 17.603127 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.129

Product Information

• Purity: 95%