8-(difluoromethoxy)quinolin-5-amine

• ChemBase ID: 261987
• Molecular Formular: C10H8F2N2O
• Molecular Mass: 210.1801264
• Monoisotopic Mass: 210.06046933
• SMILES: c12c(c(ccc1OC(F)F)N)cccn2
• Canonical SMILES: FC(Oc1ccc(c2c1nccc2)N)F
• InChI: InChI=1S/C10H8F2N2O/c11-10(12)15-8-4-3-7(13)6-2-1-5-14-9(6)8/h1-5,10H,13H2
• InChIKey: IRUAVMYTXAUCEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(difluoromethoxy)quinolin-5-amine
• IUPAC Traditional name: 8-(difluoromethoxy)quinolin-5-amine
• Synonyms: 8-(difluoromethoxy)quinolin-5-amine

Database IDs

• MDL Number: MFCD11557747
• PubChem SID: 164317897
• PubChem CID: 28332714

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0655544
• LogD (pH = 7.4): 2.0709918
• Log P: 2.0710616
• Molar Refractivity: 51.1518 cm^3
• Polarizability: 20.026123 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 2.25

Product Information

• Purity: 95%