CAS 184042-83-9|tert-butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate|tert-Butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate|tert-butyl 4-(2,2,2-trifluoro-1-hydroxyeth...

基本信息

化学结构

分子式

C₁₂H₂₀F₃NO₃

分子量

283.2873096

精确质量

283.13952817

电荷

InChI

InChI=1S/C12H20F3NO3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3

InChIKey

HARLHGMSRKJSSA-UHFFFAOYSA-N

Canonic Smiles

O=C(N1CCC(CC1)C(C(F)(F)F)O)OC(C)(C)C

Isomeric Smiles

C1CN(C(=O)OC(C)(C)C)CCC1C(O)C(F)(F)F

计算属性

JChem

Acid pKa

11.259341

质子受体

质子供体

LogD (pH = 5.5)

1.8838375

LogD (pH = 7.4)

1.8837782

Log P

1.8838382

摩尔折射率

63.3511

极化性

24.111412

极化表面积

49.77

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

tert-butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate

别名

tert-Butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylatetert-Butyl 4-(1-hydroxy-2,2,2-trifluoroethyl)piperidine-1-carboxylate4-(1-Hydroxy-2,2,2-trifluoroethyl)piperidine, N-BOC protected1-(tert-Butoxycarbonyl)-4-(1-hydroxy-2,2,2-trifluoroethyl)piperidine

IUPAC传统名

tert-butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate

名称和标识

数据登录号

PubChem CID

PubChem SID

MDL号

CAS号