1-ethoxy-2,3-difluorobenzene

• ChemBase ID: 94158
• Molecular Formular: C8H8F2O
• Molecular Mass: 158.1453264
• Monoisotopic Mass: 158.05432132
• SMILES: Fc1c(cccc1F)OCC
• Canonical SMILES: CCOc1cccc(c1F)F
• InChI: InChI=1S/C8H8F2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
• InChIKey: AVOGLGBKOFOSBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2,3-difluorobenzene
• IUPAC Traditional name: 1-ethoxy-2,3-difluorobenzene
• Synonyms: 2,3-Difluoroethoxybenzene

Database IDs

• CAS Number: 121219-07-6
• MDL Number: MFCD07368737
• PubChem SID: 162080813
• PubChem CID: 2782928

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: 14.110707 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 178°C
• Flash Point: 70.5°C
• Density: 1.1784

Safety Information

• Storage Warning: Irritant/Keep Cold