14477-72-6 ((Acetic acid,2,2,2-trifluoro-, ion(1-))

快速询单

结构式：

Acetic acid,2,2,2-trifluoro-, ion(1-)MOL文件

CAS号：

14477-72-6

英文名称：

Acetic acid,2,2,2-trifluoro-, ion(1-)

分子式：

C₂F₃O₂

分子量：

113.015411376953

Acetic acid,2,2,2-trifluoro-, ion(1-)(14477-72-6)名称与标识符

名称

英文别名：

Acetic acid,2,2,2-trifluoro-, ion(1-);2,2,2-trifluoroacetate;Acetic acid, trifluoro-, ion(1-);trifluoroacetate;Trifluoroacetate, ion;trifluoro-acetate;Trifluoroacetate anion;trifluoroacetic acid, ion(1-);PERFLUOROACETATE ANION;CF3COO(-);N-trifluoroacetate;2,2,2-tris(fluoranyl)ethanoate;trifluroacetate;trifluoracetate;MH3TVL33EZ;trifloroacetate;14477-72-6;CHEBI:27110;ACETIC ACID, 2,2,2-TRIFLUORO-, ION(1-);Q27109936;DTQVDTLACAAQTR-UHFFFAOYSA-M;Perfluoric acid;UNII-MH3TVL33EZ;CF3CO2 anion;NS00134695;perfluoroacetate;triflouroacetate;A838597;DTXSID60162799;

标识符

InChIKey：

DTQVDTLACAAQTR-UHFFFAOYSA-M

Inchi：

1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1

SMILES：

FC(C(=O)[O-])(F)F

Acetic acid,2,2,2-trifluoro-, ion(1-)(14477-72-6)物化性质

实验特性

PSA : 40.13
沸点 : 72.2°Cat760mmHg
闪点 : °C
密度 : g/cm3

计算特性

精确分子量 : 112.985
氢键供体数量 : 0
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 112.985
重原子数量 : 7
复杂度 : 77.9
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.6
拓扑分子极性表面积 : 40.1A^2

Acetic acid,2,2,2-trifluoro-, ion(1-)(14477-72-6)合成路线

合成路线：1 步

_96%

反应条件：

1.1 Solvents: Acetone ; 72 h, 25 °C; 72 h, 50 °C
1.2 rt

参考文献：

A green way to synthesize lubricating ester oils: The esterification of pentaerythrotol with fatty acids at stoichiometric ratio over [BHSO3MMIm]+[HSO4]-/SiO2

Wang, Yanan; et al, Catalysis Communications, 2018, 111, 21-25

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