1-(2,2-diethoxyethyl)-2,4-difluorobenzene

• ChemBase ID: 285528
• Molecular Formular: C12H16F2O2
• Molecular Mass: 230.2510464
• Monoisotopic Mass: 230.11183619
• SMILES: c1(c(CC(OCC)OCC)ccc(c1)F)F
• Canonical SMILES: CCOC(Cc1ccc(cc1F)F)OCC
• InChI: InChI=1S/C12H16F2O2/c1-3-15-12(16-4-2)7-9-5-6-10(13)8-11(9)14/h5-6,8,12H,3-4,7H2,1-2H3
• InChIKey: HANYTLJFPJHBKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-diethoxyethyl)-2,4-difluorobenzene
• IUPAC Traditional name: 1-(2,2-diethoxyethyl)-2,4-difluorobenzene
• Synonyms: 1-(2,2-diethoxyethyl)-2,4-difluorobenzene

Database IDs

• MDL Number: MFCD11554294
• PubChem SID: 180671059
• PubChem CID: 73994696

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1869047
• LogD (pH = 7.4): 3.1869047
• Log P: 3.1869047
• Molar Refractivity: 58.2016 cm^3
• Polarizability: 22.082256 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.637

Product Information

• Purity: 95%