1,3-difluoro-2,4-dimethoxybenzene

• ChemBase ID: 22316
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: c1c(c(c(c(c1)F)OC)F)OC
• Canonical SMILES: COc1ccc(c(c1F)OC)F
• InChI: InChI=1S/C8H8F2O2/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4H,1-2H3
• InChIKey: XBYYVWUGEHVLDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-difluoro-2,4-dimethoxybenzene
• IUPAC Traditional name: 1,3-difluoro-2,4-dimethoxybenzene
• Synonyms: 1,3-Difluoro-2,4-dimethoxybenzene

Database IDs

• MDL Number: MFCD09800643
• PubChem SID: 160985623
• PubChem CID: 10583362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9433072
• LogD (pH = 7.4): 1.9433072
• Log P: 1.9433072
• Molar Refractivity: 39.4172 cm^3
• Polarizability: 14.868616 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT, KEEP COLD
• TSCA Listed: false

Product Information

• Purity: 97%