2,2,3,3,4,4,5,5-octafluoropentanamide

• ChemBase编号: 95473
• 分子式: C5H3F8NO
• 平均质量: 245.0706456
• 单一同位素质量: 245.00868948
• SMILES: FC(C(C(=O)N)(F)F)(C(C(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(=O)N)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5H3F8NO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H,(H2,14,15)
• InChIKey: QNNUQHBPTQVSFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5-octafluoropentanamide
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluoropentanamide
• 别名: 2,2,3,3,4,4,5,5-octafluoropentanamide

登记号

• MDL号: MFCD00193789
• PubChem SID: 162082122
• PubChem CID: 2063303

理论计算性质

• Acid pKa: 4.763359
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.9593034
• LogD (pH = 7.4): 1.9917915
• Log P: 1.7152079
• 摩尔折射率: 28.5904 cm^3
• 极化性: 11.254954 Å^3
• 极化表面积: 43.09 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true