HCID11858685

Tert-butyl 1-chloro-2-fluoro-cyclopropane-1-carboxylate

tert-butyl 1-chloro-2-fluorocyclopropane-1-carboxylate

C8H12ClFO2194.63 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)C1(Cl)CC1F
InChIKey: NVFLNBFLQTZZEI-UHFFFAOYSA-N
分子式: C8H12ClFO2
平均分子量: 194.63 g/mol
单同位素质量: 194.0509855

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 212

ALIASES

名称与别名

共 3 条

SCHEMBL3675536Tert-butyl 1-chloro-2-fluoro-cyclopropane-1-carboxylateNVFLNBFLQTZZEI-UHFFFAOYSA-N

REACTIONS

参与反应

8 条

HRID 130612 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07381833B2

HRID 302243 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

HRID 313807 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

HRID 315251 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

HRID 1118330 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1123431 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1123812 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 2325795 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D