2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(morpholin-4-yl)propan-1-one

• ChemBase编号: 95854
• 分子式: C13H8F17NO4
• 平均质量: 565.1797744
• 单一同位素质量: 565.01818748
• SMILES: O(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(=O)N1CCOCC1)(C(F)(F)F)F
• Canonical SMILES: O=C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)N1CCOCC1
• InChI: InChI=1S/C13H8F17NO4/c14-6(9(18,19)20,5(32)31-1-3-33-4-2-31)34-13(29,30)8(17,11(24,25)26)35-12(27,28)7(15,16)10(21,22)23/h1-4H2
• InChIKey: SDCKSDMRHLPCBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(morpholin-4-yl)propan-1-one
• IUPAC传统名: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(morpholin-4-yl)propan-1-one
• 别名: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-morpholinopropan-1-one

登记号

• MDL号: MFCD00319431
• PubChem SID: 162082503
• PubChem CID: 2780521

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.804881
• LogD (pH = 7.4): 5.804881
• Log P: 5.804881
• 摩尔折射率: 72.6426 cm^3
• 极化性: 27.389626 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false