CAS 1766-76-3|Decafluorobenzhydrol|bis(pentafluorophenyl)methanol|bis(pentafluorophenyl)methanol|Decafluorobenzhydrol 97%|Bis(pentafluorophenyl)methanol|双(五氟苯基)甲醇|2,3,4,5,6,2′,3′,4′,5′,6...

基本信息

化学结构

分子式

C₁₃H₂F₁₀O

分子量

364.138412

精确质量

363.99459688

电荷

InChI

InChI=1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H

InChIKey

WRLLBTKDSCJOBL-UHFFFAOYSA-N

Canonic Smiles

OC(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F

Isomeric Smiles

c1(c(c(c(c(c1F)F)F)F)F)C(O)c1c(c(c(c(c1F)F)F)F)F

计算属性

JChem

Acid pKa

11.705573

质子受体

质子供体

LogD (pH = 5.5)

4.4171553

LogD (pH = 7.4)

4.4171343

Log P

4.4171557

摩尔折射率

59.3207

极化性

21.02622

极化表面积

20.23

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

DecafluorobenzhydrolDecafluorobenzhydrol 97%Bis(pentafluorophenyl)methanol双(五氟苯基)甲醇2,3,4,5,6,2′,3′,4′,5′,6′-Decafluorobenzhydrol十甲基苯氟酸酯十氟二苯甲醇2,3,4,5,6,2′,3′,4′,5′,6′-DecafluorodiphenylcarbinolDecafluorobenzhydrolBis(pentafluorophenyl) carbinol

IUPAC标准名

bis(pentafluorophenyl)methanol

IUPAC传统名

bis(pentafluorophenyl)methanol

名称和标识

数据登录号

EC号

217-185-0

PubChem SID

24851772160972166

MDL号

MFCD00000297