5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl fluoride

• ChemBase编号: 97519
• 分子式: C5ClF9O
• 平均质量: 282.4915288
• 单一同位素质量: 281.94939628
• SMILES: O=C(C(C(F)(C(C(Cl)(F)F)(F)F)F)(F)F)F
• Canonical SMILES: FC(=O)C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5ClF9O/c6-5(14,15)4(12,13)3(10,11)2(8,9)1(7)16
• InChIKey: UHJPXUQIZVYTEH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl fluoride
• IUPAC传统名: 5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl fluoride
• 别名: 5-Chloroperfluoropentanoyl fluoride

登记号

• MDL号: MFCD00155686
• PubChem SID: 162084126
• PubChem CID: 2782489

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4633381
• LogD (pH = 7.4): 3.4633381
• Log P: 3.4633381
• 摩尔折射率: 31.7162 cm^3
• 极化性: 12.259186 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/Moisture Sensitive