化合物信息

ID:98696

基本信息
化学结构
MolImage
分子式
C₂₁H₁₂F₃₂O₄
分子量
936.2664824
精确质量
936.0224619
电荷
0
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
Canonic 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
Isomeric 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
计算属性
JChem
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
极化性
42.393833
极化表面积
36.92
可自由旋转的化学键
24
里宾斯基五规则
false
数据来源
名称和标识
别名
Tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)orthocarbonate 97%
数据登录号
化合物性质
分子相关蛋白质
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分子图谱
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描述信息
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参考文献
生物活性
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