Ethyl 4-(Trifluoromethyl)-1H-Imidazole-5-Carboxylate 4-(三氟甲基)-1H-咪唑-5-羧酸乙酯

CAS 55942-41-1 MFCD12025856

化学结构图

55942-41-1
SMILES: CCOC(=O)C1NC=NC=1C(F)(F)F

化学属性

Mol. FormulaC7H7F3N2O2
Mol. Weight208.14
Melting Point180-186 °C

别名和识别编码

Chemical NameEthyl 4-(Trifluoromethyl)-1H-Imidazole-5-Carboxylate
CAS Number55942-41-1
Alfabeta NameETHYLTRIFLUOROMETHYLIMIDAZOLECARBOXYLATE H415()-----
MDL NumberMFCD12025856
Synonym 4-Trifluoromethyl-5-carbethoxyimidazole 5-Trifluoromethyl-3H-imidazole-4-carboxylic acid ethyl ester Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate
PubChem Substance ID329766565
LabNetwork Molecule IDLN00150635
Chemical Name Translation4-(三氟甲基)-1H-咪唑-5-羧酸乙酯
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, Chemical Synthesis, Fluorinated Building Blocks, Halogenated Heterocycles, Heterocyclic Building Blocks, Heterocyclic Fluorinated Building Blocks, Imidazoles, Trifluoromethyl
  • {KO} Esters

安全信息

Warnings IRRITANT
Hazard Codes Xn
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
3
LogP
8.712000000000001e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Heterocyclic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Trifluoromethyl - Heterocyclic Fluorinated Building Blocks
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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