6-(2,2-difluoroethoxy)pyridin-2-amine

• ChemBase ID: 244679
• Molecular Formular: C7H8F2N2O
• Molecular Mass: 174.1480264
• Monoisotopic Mass: 174.06046933
• SMILES: n1c(OCC(F)F)cccc1N
• Canonical SMILES: FC(COc1cccc(n1)N)F
• InChI: InChI=1S/C7H8F2N2O/c8-5(9)4-12-7-3-1-2-6(10)11-7/h1-3,5H,4H2,(H2,10,11)
• InChIKey: WQKFUUWZDLYIJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,2-difluoroethoxy)pyridin-2-amine
• IUPAC Traditional name: 6-(2,2-difluoroethoxy)pyridin-2-amine
• Synonyms: 6-(2,2-difluoroethoxy)pyridin-2-amine

Database IDs

• MDL Number: MFCD22741230
• PubChem SID: 164300589
• PubChem CID: 71757566

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3622491
• LogD (pH = 7.4): 1.4233878
• Log P: 1.424227
• Molar Refractivity: 40.2521 cm^3
• Polarizability: 14.543807 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.737

Product Information

• Purity: 95%