6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 263140
• Molecular Formular: C10H11F2NO
• Molecular Mass: 199.1972464
• Monoisotopic Mass: 199.08087042
• SMILES: c12c(cc(OC(F)F)cc2)CCCN1
• Canonical SMILES: FC(Oc1ccc2c(c1)CCCN2)F
• InChI: InChI=1S/C10H11F2NO/c11-10(12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,10,13H,1-2,5H2
• InChIKey: DZDFJYGJGKTWJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
• Synonyms: 6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD09739659
• PubChem SID: 164319050
• PubChem CID: 16792853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2799597
• LogD (pH = 7.4): 2.6907184
• Log P: 2.699568
• Molar Refractivity: 50.6345 cm^3
• Polarizability: 18.203506 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.734

Product Information

• Purity: 95%