1,5-difluoro-2,4-dimethoxybenzene

• ChemBase ID: 99187
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: Fc1c(cc(c(c1)F)OC)OC
• Canonical SMILES: COc1cc(OC)c(cc1F)F
• InChI: InChI=1S/C8H8F2O2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
• InChIKey: INATUVGKCBFRFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-difluoro-2,4-dimethoxybenzene
• IUPAC Traditional name: 1,5-difluoro-2,4-dimethoxybenzene
• Synonyms: 4,6-Difluororesorcinol dimethyl ether; 1,5-Difluoro-2,4-dimethoxybenzene

Database IDs

• CAS Number: 79069-70-8
• MDL Number: MFCD13193047
• PubChem SID: 162085477
• PubChem CID: 12735307

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: 14.868163 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 55°C/50mm

Safety Information

• Storage Warning: Irritant