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

• ChemBase ID: 262207
• Molecular Formular: C10H11F2NO
• Molecular Mass: 199.1972464
• Monoisotopic Mass: 199.08087042
• SMILES: c12c(OC(F)F)cccc2CCCN1
• Canonical SMILES: FC(Oc1cccc2c1NCCC2)F
• InChI: InChI=1S/C10H11F2NO/c11-10(12)14-8-5-1-3-7-4-2-6-13-9(7)8/h1,3,5,10,13H,2,4,6H2
• InChIKey: HJNVCPDINIURFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 8-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
• Synonyms: 8-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD09727560
• PubChem SID: 164318117
• PubChem CID: 16780862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5926836
• LogD (pH = 7.4): 2.698044
• Log P: 2.699568
• Molar Refractivity: 50.6345 cm^3
• Polarizability: 18.205475 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%