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

• ChemBase ID: 256281
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: c12c(cc(cc2)F)CCCN1
• Canonical SMILES: Fc1ccc2c(c1)CCCN2
• InChI: InChI=1S/C9H10FN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2
• InChIKey: NECDDBBJVCNJNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-fluoro-1,2,3,4-tetrahydroquinoline
• Synonyms: 6-Fluoro-1,2,3,4-tetrahydroquinoline; 6-fluoro-1,2,3,4-tetrahydroquinoline

Database IDs

• CAS Number: 59611-52-8
• MDL Number: MFCD09040997
• PubChem SID: 164312191
• PubChem CID: 14783911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9452727
• LogD (pH = 7.4): 2.071313
• Log P: 2.073183
• Molar Refractivity: 44.3788 cm^3
• Polarizability: 15.84075 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32-34°C
• Hydrophobicity(logP): 2.63

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%