2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl chloride

• ChemBase编号: 99300
• 分子式: C5ClF9O3
• 平均质量: 314.4903288
• 单一同位素质量: 313.93922552
• SMILES: O(C(F)(F)C(F)(F)OC(C(=O)Cl)(F)F)C(F)(F)F
• Canonical SMILES: ClC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5ClF9O3/c6-1(16)2(7,8)17-3(9,10)4(11,12)18-5(13,14)15
• InChIKey: BKZHJOQMNQCFAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl chloride
• IUPAC传统名: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl chloride
• 别名: Nonafluoro-3,6-dioxaheptanoyl chloride 97%

登记号

• MDL号: MFCD00155884
• PubChem SID: 162085580
• PubChem CID: 2775823

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.5264645
• LogD (pH = 7.4): 4.5264645
• Log P: 4.5264645
• 摩尔折射率: 32.4517 cm^3
• 极化性: 13.94126 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive