2,2-difluoro-2-hydroxy-N-silylacetamide; difluoromethanediol; hexafluoropropane-1,2-diol

• ChemBase ID: 138603
• Molecular Formular: C6H9F10NO6Si
• Molecular Mass: 409.208292
• Monoisotopic Mass: 409.00394575
• SMILES: C(=O)(C(O)(F)F)N[SiH3].C(C(O)(F)F)(C(F)(F)F)(O)F.C(O)(O)(F)F
• Canonical SMILES: OC(C(F)(F)F)(C(F)(F)O)F.OC(F)(F)O.[SiH3]NC(=O)C(F)(F)O
• InChI: InChI=1S/C3H2F6O2.C2H5F2NO2Si.CH2F2O2/c4-1(10,2(5,6)7)3(8,9)11;3-2(4,7)1(6)5-8;2-1(3,4)5/h10-11H;7H,8H3,(H,5,6);4-5H
• InChIKey: IKZTWLKTLAXZDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-2-hydroxy-N-silylacetamide; difluoromethanediol; hexafluoropropane-1,2-diol
• IUPAC Traditional name: 2,2-difluoro-2-hydroxy-N-silylacetamide; difluoromethanediol; hexafluoropropane-1,2-diol
• Synonyms: Poly(hexafluoropropylene oxide-co-difluoromethylene oxide) monoamidosilane; 聚(六氟环氧丙烷-co-二氟甲醛)单氨基硅烷

Database IDs

• MDL Number: MFCD00284268
• PubChem SID: 162232856; 24869398
• PubChem CID: 16213009

CALCULATED PROPERTIES

• Acid pKa: 4.296165
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.15666315
• LogD (pH = 7.4): -3.0947335
• Log P: 1.2249697
• Molar Refractivity: 20.3254 cm^3
• Polarizability: 7.8763204 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: isopropanol, n-butanol, and acetone: soluble
• Density: 1.49 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.349(lit.)
• Viscosity: 34 cSt(20 °C)(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Mol. Weight: average Mn ~825

DETAILS

Sigma Aldrich - 457809

Physical properties
Hydrolyzes in water,