2,2,3,3,4,4,5,5-octafluoropentanoyl iodide

• ChemBase编号: 98332
• 分子式: C5HF8IO
• 平均质量: 355.9525356
• 单一同位素质量: 355.89443841
• SMILES: IC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
• Canonical SMILES: FC(C(C(C(C(=O)I)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HF8IO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H
• InChIKey: JWVQIGLCDUFCNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5-octafluoropentanoyl iodide
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluoropentanoyl iodide
• 别名: 5H-Octafluorovaleroyl iodide; 5H-Octafluoropentanoyl iodide 97%

登记号

• MDL号: MFCD00155903
• PubChem SID: 162084776
• PubChem CID: 2775879

理论计算性质

• Acid pKa: 19.782104
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.1927905
• LogD (pH = 7.4): 3.1927905
• Log P: 3.1927905
• 摩尔折射率: 37.8312 cm^3
• 极化性: 15.723104 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive