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13140-24-4 分子结构
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2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosanoyl fluoride

ChemBase编号:12081
分子式:C21F42O7
平均质量:1162.1534344
单一同位素质量:1161.89733758
SMILES和InChIs

SMILES:
FC(=O)C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
Canonical SMILES:
FC(C(C(OC(C(OC(C(OC(C(OC(C(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C21F42O7/c22-1(64)2(23,9(31,32)33)65-17(54,55)4(26,11(37,38)39)67-19(58,59)6(28,13(43,44)45)69-21(62,63)8(30,15(49,50)51)70-20(60,61)7(29,14(46,47)48)68-18(56,57)5(27,12(40,41)42)66-16(52,53)3(24,25)10(34,35)36
InChIKey:
WWLDXJJOBWJDPA-UHFFFAOYSA-N

引用这个纪录

CBID:12081 http://www.chembase.cn/molecule-12081.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosanoyl fluoride
IUPAC传统名
2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosanoyl fluoride
别名
Perfluoro-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxaheneicosanoyl fluoride
Perfluoro-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenelcosanoyl fluoride 90%
CAS号
13140-24-4
MDL号
MFCD03094123
PubChem SID
160975388
PubChem CID
2776148

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 2776148 external link

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 16.175406  LogD (pH = 7.4) 16.175406 
Log P 16.175406  摩尔折射率 118.4372 cm3
极化性 46.155922 Å3 极化表面积 72.45 Å2
可自由旋转的化学键 26  里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
沸点
100-102°C/0.9mm expand 查看数据来源
密度
1.8 expand 查看数据来源
保存注意事项
Irritant expand 查看数据来源
IRRITANT, CORROSIVE expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
TSCA收录
false expand 查看数据来源
纯度
90% expand 查看数据来源

详细说明

详细说明

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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