CAS 80464-74-0|Ytterbium tris[3-(heptafluoropropylhydroxymethylene)-(-)-camphorate]|tris({2,2,3,3,4,4,4-heptafluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene]butoxy})ytterbium|Y...

基本信息

化学结构

分子式

C₄₂H₄₂F₂₁O₆Yb

分子量

1214.7997472

精确质量

1215.20346868

电荷

InChI

InChI=1S/3C14H15F7O2.Yb/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/t3*6-,11+;/m111./s1

InChIKey

NBSIYJBDGKNPLM-NGFDQIBISA-K

Canonic Smiles

O=C1/C(=C(\C(C(C(F)(F)F)(F)F)(F)F)/O[Yb](O/C(=C/2\C(=O)[C@]3(C([C@@H]2CC3)(C)C)C)/C(C(C(F)(F)F)(F)F)(F)F)O/C(=C/2\C(=O)[C@]3(C([C@@H]2CC3)(C)C)C)/C(C(C(F)(F)F)(F)F)(F)F)/[C@@H]2C([C@@]1(C)CC2)(C)C

Isomeric Smiles

C[C@@]12C([C@@H](/C(=C(/O[Yb](O/C(=C/3\C(=O)[C@]4(C([C@@H]3CC4)(C)C)C)/C(F)(F)C(F)(F)C(F)(F)F)O/C(=C\3/C(=O)[C@]4(C([C@@H]3CC4)(C)C)C)/C(F)(F)C(F)(F)C(F)(F)F)\C(F)(F)C(F)(F)C(F)(F)F)/C1=O)CC2)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

14.6205

LogD (pH = 7.4)

14.6205

Log P

14.6205

摩尔折射率

196.4694

极化性

79.76213

极化表面积

78.9

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

Ytterbium tris[3-(heptafluoropropylhydroxymethylene)-(-)-camphorate]Yb(hfc)3三[3-(七氟丙基羟基亚甲基)-(-)-樟脑酰基]镱(III)Tris[3-(heptafluoropropylhydroxymethylene)-(-)-camphorato]ytterbium(III)三[3-(七氟丙基羟基亚甲基)-D-樟脑酰基]镱

IUPAC标准名

tris({2,2,3,3,4,4,4-heptafluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene]butoxy})ytterbium

IUPAC传统名

tris({2,2,3,3,4,4,4-heptafluoro-1-[(1S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptan-2-ylidene]butoxy})ytterbium

名称和标识

数据登录号

CAS号

80464-74-0

MDL号

MFCD00151061

PubChem CID

71309981