ethyl 4,4-diethoxy-2,2-difluorobutanoate

• ChemBase ID: 235226
• Molecular Formular: C10H18F2O4
• Molecular Mass: 240.2443264
• Monoisotopic Mass: 240.1173155
• SMILES: C(CC(OCC)OCC)(C(=O)OCC)(F)F
• Canonical SMILES: CCOC(CC(C(=O)OCC)(F)F)OCC
• InChI: InChI=1S/C10H18F2O4/c1-4-14-8(15-5-2)7-10(11,12)9(13)16-6-3/h8H,4-7H2,1-3H3
• InChIKey: IVYCZUAAZUOXFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4,4-diethoxy-2,2-difluorobutanoate
• IUPAC Traditional name: ethyl 4,4-diethoxy-2,2-difluorobutanoate
• Synonyms: ethyl 4,4-diethoxy-2,2-difluorobutanoate

Database IDs

• MDL Number: MFCD22056381
• PubChem SID: 164291136
• PubChem CID: 71755457

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9504802
• LogD (pH = 7.4): 1.9504802
• Log P: 1.9504802
• Molar Refractivity: 53.1631 cm^3
• Polarizability: 20.9794 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.246

Product Information

• Purity: 95%