5-fluoro-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 275426
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: c12c(NCCC2)cccc1F
• Canonical SMILES: Fc1cccc2c1CCCN2
• InChI: InChI=1S/C9H10FN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,11H,2-3,6H2
• InChIKey: JHOUEDHRTBPBDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 5-fluoro-1,2,3,4-tetrahydroquinoline
• Synonyms: 5-fluoro-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD08544259
• PubChem SID: 164331336
• PubChem CID: 16244381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.04782
• LogD (pH = 7.4): 2.0728543
• Log P: 2.073183
• Molar Refractivity: 44.3788 cm^3
• Polarizability: 15.84214 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 2.63

Product Information

• Purity: 95%