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

• ChemBase编号: 138603
• 分子式: C6H9F10NO6Si
• 平均质量: 409.208292
• 单一同位素质量: 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

名称和登记号

名称

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

登记号

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

理论计算性质

• Acid pKa: 4.296165
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -0.15666315
• LogD (pH = 7.4): -3.0947335
• Log P: 1.2249697
• 摩尔折射率: 20.3254 cm^3
• 极化性: 7.8763204 Å^3
• 极化表面积: 40.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: isopropanol, n-butanol, and acetone: soluble
• 密度: 1.49 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.349(lit.)
• 粘度: 34 cSt(20 °C)(lit.)

安全信息

• 德国WGK号: 3

产品相关信息

• Mol. Weight: average Mn ~825

详细说明

Sigma Aldrich - 457809

Physical properties
遇水发生水解，