1,2-bis(2-fluoroethoxy)benzene

• ChemBase ID: 796997
• Molecular Formular: C10H12F2O2
• Molecular Mass: 202.1978864
• Monoisotopic Mass: 202.08053606
• SMILES: c1c(c(ccc1)OCCF)OCCF
• Canonical SMILES: FCCOc1ccccc1OCCF
• InChI: InChI=1S/C10H12F2O2/c11-5-7-13-9-3-1-2-4-10(9)14-8-6-12/h1-4H,5-8H2
• InChIKey: JYRZMMLIJJIPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(2-fluoroethoxy)benzene
• IUPAC Traditional name: 1,2-bis(2-fluoroethoxy)benzene
• Synonyms: 2,3-Difluoroethoxybenzene

Database IDs

• CAS Number: 121219-07-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0598829
• LogD (pH = 7.4): 2.0598829
• Log P: 2.0598829
• Molar Refractivity: 48.1848 cm^3
• Polarizability: 18.541899 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%