CAS 1107-00-2|4,4'-(Hexafluoroisopropylidene)diphthalic anhydride|5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione|5-[2-(1,3-dioxo-1,3-dihydro-2-benzofura...

基本信息

化学结构

分子式

C₁₉H₆F₆O₆

分子量

444.2377592

精确质量

444.00685723

电荷

InChI

InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H

InChIKey

QHHKLPCQTTWFSS-UHFFFAOYSA-N

Canonic Smiles

O=C1OC(=O)c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)C(=O)OC2=O

Isomeric Smiles

C(C(C(F)(F)F)(c1cc2c(cc1)C(=O)OC2=O)c1cc2c(cc1)C(=O)OC2=O)(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.279636

LogD (pH = 7.4)

4.279636

Log P

4.279636

摩尔折射率

99.7923

极化性

32.14135

极化表面积

86.74

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

4,4'-(Hexafluoroisopropylidene)diphthalic anhydride5,5'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(2-benzofuran-1,3-dione)4,4'-(Hexafluoroisopropylidene)diphthalic anhydride2,2-Bis(1,3-dihydro-1,3-dioxobenzo[c]furan-5-yl)hexafluoropropane 99%4,4′-(Hexafluoroisopropylidene)diphthalic anhydride4,4-六氟异丙基邻苯二甲酸酐4,4′-(六氟异丙烯)二酞酸酐4,4'-(Hexafluoroisopropylidene)diphthalic anhydride

IUPAC传统名

5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione

IUPAC标准名

5-[2-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dihydro-2-benzofuran-1,3-dione

名称和标识

数据登录号

CAS号

1107-00-2

MDL号

MFCD00039143

EC号

214-170-0