化合物信息

ID:9854

基本信息
化学结构
MolImage
分子式
C₁₁HF₂₁O₂
分子量
564.0909072
精确质量
563.96412189
电荷
0
InChI
InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
InChIKey
SIDINRCMMRKXGQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
计算属性
JChem
Acid pKa
-5.1979723
质子受体
2
质子供体
1
LogD (pH = 5.5)
3.6852999
LogD (pH = 7.4)
3.6852996
Log P
7.2147675
摩尔折射率
55.6659
极化性
22.468233
极化表面积
37.3
可自由旋转的化学键
10
里宾斯基五规则
false
数据来源
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化合物性质
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描述信息
参考文献
生物活性
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