2-ethoxy-1,3-difluorobenzene

• ChemBase ID: 98407
• Molecular Formular: C8H8F2O
• Molecular Mass: 158.1453264
• Monoisotopic Mass: 158.05432132
• SMILES: O(c1c(cccc1F)F)CC
• Canonical SMILES: CCOc1c(F)cccc1F
• InChI: InChI=1S/C8H8F2O/c1-2-11-8-6(9)4-3-5-7(8)10/h3-5H,2H2,1H3
• InChIKey: FWGGXGUIXTZGJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-1,3-difluorobenzene
• IUPAC Traditional name: 2-ethoxy-1,3-difluorobenzene
• Synonyms: 1,3-Difluoro-2-ethoxybenzene; 2,6-Difluorophenyl ethyl ether; 2,6-Difluorophenetole 98%

Database IDs

• MDL Number: MFCD09998182
• PubChem SID: 162084842
• PubChem CID: 17968609

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4577863
• LogD (pH = 7.4): 2.4577863
• Log P: 2.4577863
• Molar Refractivity: 37.7026 cm^3
• Polarizability: 14.113014 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant