CAS 34761-47-2|2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride|2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-hept...

基本信息

化学结构

分子式

C₁₅F₃₀O₅

分子量

830.109596

精确质量

829.9266697

电荷

InChI

InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28

InChIKey

QDHLRGOEEBWEIB-UHFFFAOYSA-N

Canonic Smiles

FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F

Isomeric Smiles

O=C(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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

11.40206

LogD (pH = 7.4)

11.40206

Log P

11.40206

摩尔折射率

84.8066

极化性

32.989853

极化表面积

53.99

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC传统名

2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride

IUPAC标准名

2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecanoyl fluoride

别名

Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoridePerfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoride 97%全氟-2,5,8,11-四甲基-3,6,9,12-四氧杂十五酰氟HFPO pentamer acid fluoridePerfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoride

名称和标识

数据登录号

CAS号

PubChem CID

MDL号

PubChem SID

数据登录号

化合物性质