8-fluoro-1,2,3,4-tetrahydroquinoline hydrochloride

• ChemBase ID: 263499
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: c12NCCCc2cccc1F.Cl
• Canonical SMILES: Fc1cccc2c1NCCC2.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6H2;1H
• InChIKey: GBSOXVCBJZPHCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13368198
• PubChem SID: 164319409
• PubChem CID: 47002165

CALCULATED PROPERTIES

• Acid pKa: 18.177881
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.06918
• LogD (pH = 7.4): 2.0731325
• Log P: 2.073183
• Molar Refractivity: 44.3788 cm^3
• Polarizability: 15.841982 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 2.63

Product Information

• Purity: 95%