2-(difluoromethoxy)-6-fluoropyridine

• ChemBase ID: 95139
• Molecular Formular: C6H4F3NO
• Molecular Mass: 163.0972696
• Monoisotopic Mass: 163.02449841
• SMILES: n1c(cccc1OC(F)F)F
• Canonical SMILES: FC(Oc1cccc(n1)F)F
• InChI: InChI=1S/C6H4F3NO/c7-4-2-1-3-5(10-4)11-6(8)9/h1-3,6H
• InChIKey: IACWJJQKDUBNHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-6-fluoropyridine
• IUPAC Traditional name: 2-(difluoromethoxy)-6-fluoropyridine
• Synonyms: Difluoromethyl 6-fluoropyridin-2-yl ether; 2-(Difluoromethoxy)-6-fluoropyridine

Database IDs

• CAS Number: 947534-62-5
• MDL Number: MFCD09258966
• PubChem SID: 162081789
• PubChem CID: 26985479

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6557505
• LogD (pH = 7.4): 2.6557505
• Log P: 2.6557505
• Molar Refractivity: 31.9178 cm^3
• Polarizability: 11.493464 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon

Product Information

• Purity: 95+%