CAS 915-76-4|tris(heptafluoropropyl)-1,3,5-triazine|tris(heptafluoropropyl)-1,3,5-triazine|Tris(heptafluoropropyl)-s-triazine|2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine|2,4,6-Tris(heptafluoropropy...

基本信息

化学结构

分子式

C₁₂F₂₁N₃

分子量

585.1149672

精确质量

584.97568964

电荷

InChI

InChI=1S/C12F21N3/c13-4(14,7(19,20)10(25,26)27)1-34-2(5(15,16)8(21,22)11(28,29)30)36-3(35-1)6(17,18)9(23,24)12(31,32)33

InChIKey

KXQUYHRRCVECPV-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(F)(F)F)(F)F)(c1nc(nc(n1)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F

Isomeric Smiles

n1c(nc(nc1C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

9.205728

LogD (pH = 7.4)

9.205728

Log P

9.205728

摩尔折射率

67.4334

极化性

24.693481

极化表面积

38.67

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标准名

tris(heptafluoropropyl)-1,3,5-triazine

IUPAC传统名

tris(heptafluoropropyl)-1,3,5-triazine

别名

Tris(heptafluoropropyl)-s-triazine2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine2,4,6-三(七氟丙基)-1,3,5-三嗪2,4,6-Tris(heptafluoropropyl)-1,3,5-triazine, Mass Spec Std.2,4,6-三(七氟丙基)-1,3,5-三嗪, 质谱标准.

名称和标识

数据登录号

MDL号

CAS号

Beilstein号

PubChem CID

EC号