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

• ChemBase ID: 258465
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: c12cc(ccc2CCCN1)F
• Canonical SMILES: Fc1ccc2c(c1)NCCC2
• InChI: InChI=1S/C9H10FN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5H2
• InChIKey: YNLNAFQKGGXCDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 7-fluoro-1,2,3,4-tetrahydroquinoline
• Synonyms: 7-fluoro-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD08544269
• PubChem SID: 164314375
• PubChem CID: 16244387

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0566378
• LogD (pH = 7.4): 2.0729709
• Log P: 2.073183
• Molar Refractivity: 44.3788 cm^3
• Polarizability: 15.840514 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 2.63

Product Information

• Purity: 95%