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

• ChemBase ID: 272577
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: c12c(cc(cc1C)F)CCCN2
• Canonical SMILES: Fc1cc2CCCNc2c(c1)C
• InChI: InChI=1S/C10H12FN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h5-6,12H,2-4H2,1H3
• InChIKey: HRDPUHJSFWMJFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09731602
• PubChem SID: 164328487
• PubChem CID: 16784859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4683776
• LogD (pH = 7.4): 2.5848956
• Log P: 2.5866044
• Molar Refractivity: 49.42 cm^3
• Polarizability: 17.60284 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%