• ChemBase编号: 98696
• 分子式: C21H12F32O4
• 平均质量: 936.2664824
• 单一同位素质量: 936.0224619
• SMILES: O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(F)(F)C(F)(F)C(C(F)F)(F)F)OCC(C(C(F)(F)C(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(COC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C21H12F32O4/c22-5(23)13(38,39)17(46,47)9(30,31)1-54-21(55-2-10(32,33)18(48,49)14(40,41)6(24)25,56-3-11(34,35)19(50,51)15(42,43)7(26)27)57-4-12(36,37)20(52,53)16(44,45)8(28)29/h5-8H,1-4H2
• InChIKey: HORCGEVYALXMCL-UHFFFAOYSA-N

名称和登记号

名称

• 别名: Tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)orthocarbonate 97%

登记号

• MDL号: MFCD09258994
• PubChem SID: 162085080
• PubChem CID: 2776816

理论计算性质

• Acid pKa: 19.187487
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 11.587648
• LogD (pH = 7.4): 11.587648
• Log P: 11.587648
• 摩尔折射率: 105.8246 cm^3
• 极化性: 42.393833 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 24
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 135°C/0.05mm

安全信息

• 保存注意事项: Irritant