1,4-difluoro-2-(methoxymethoxy)benzene

• ChemBase ID: 99896
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: O(c1c(ccc(c1)F)F)COC
• Canonical SMILES: COCOc1cc(F)ccc1F
• InChI: InChI=1S/C8H8F2O2/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,5H2,1H3
• InChIKey: PVPJQNWLCJWHGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-difluoro-2-(methoxymethoxy)benzene
• IUPAC Traditional name: 1,4-difluoro-2-(methoxymethoxy)benzene
• Synonyms: 2,5-Difluoro-1-(methoxymethoxy)benzene; 1,4-Difluoro-2-(methoxymethoxy)benzene; 1,4-二氟-2-(甲氧基甲氧基)苯

Database IDs

• CAS Number: 749230-16-8
• MDL Number: MFCD09864679
• PubChem SID: 162086143
• PubChem CID: 26986085

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1641037
• LogD (pH = 7.4): 2.1641037
• Log P: 2.1641037
• Molar Refractivity: 38.807 cm^3
• Polarizability: 14.881652 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 96%