2-(2,2-difluoroethoxy)pyridin-3-amine

• ChemBase ID: 245126
• Molecular Formular: C7H8F2N2O
• Molecular Mass: 174.1480264
• Monoisotopic Mass: 174.06046933
• SMILES: c1(ncccc1N)OCC(F)F
• Canonical SMILES: FC(COc1ncccc1N)F
• InChI: InChI=1S/C7H8F2N2O/c8-6(9)4-12-7-5(10)2-1-3-11-7/h1-3,6H,4,10H2
• InChIKey: LAKFYIGVXSORKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-difluoroethoxy)pyridin-3-amine
• IUPAC Traditional name: 2-(2,2-difluoroethoxy)pyridin-3-amine
• Synonyms: 2-(2,2-difluoroethoxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD20727779
• PubChem SID: 164301036
• PubChem CID: 58413303

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8272575
• LogD (pH = 7.4): 0.8297377
• Log P: 0.82976943
• Molar Refractivity: 39.9386 cm^3
• Polarizability: 14.545035 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%