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2-Pentanone, 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)- | 73041-05-1
2-Pentanone, 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)- | 73041-05-1
2-Pentanone, 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-
73041-05-1
C6OF12
316.0444
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-Pentanone, 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-结构式
名称和标识符
InChIKey |
QXKKNVWUTKFIPI-UHFFFAOYSA-N |
Inchi |
InChI=1S/C6F12O/c7-2(8,1(19)3(9,10)11)4(12,5(13,14)15)6(16,17)18 |
SMILES |
C(=O)(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)C(F)(F)F |
别名信息
- 英文别名 -
- 2-Pentanone, 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-
- 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-2-one
- DTXSID90501334
- DTXSID90501334
- DTXSID90501334
- perfluoro(4-methyl-2-pentanone)
- perfluoro(4-methyl-2-pentanone)
- perfluoro(4-methyl-2-pentanone)
- 1,1,1,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pentan-2-one
- 1,1,1,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pentan-2-one
- 1,1,1,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pentan-2-one
- NS00019223
- NS00019223
- NS00019223
- 73041-05-1
- 73041-05-1
- 73041-05-1
- SCHEMBL9934793
- SCHEMBL9934793
- SCHEMBL9934793
- QXKKNVWUTKFIPI-UHFFFAOYSA-N
- QXKKNVWUTKFIPI-UHFFFAOYSA-N
- QXKKNVWUTKFIPI-UHFFFAOYSA-N
物化性质
实验特性
计算特性
精确分子量 |
315.9757 |
氢键供体数量 |
0 |
氢键受体数量 |
13 |
可旋转化学键数量 |
2 |
同位素质量 |
315.9757526g/mol |
重原子数量 |
19 |
复杂度 |
342 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4.2 |
拓扑分子极性表面积 |
17.1Ų |
2-Pentanone, 1,1,1,3,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-推荐生产厂家
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