(1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate

C7H7F3N2O2 — CID 67217917

IUPAC(1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate
SMILESCCn1ccnc1OC(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-2-12-4-3-11-6(12)14-5(13)7(8,9)10/h3-4H,2H2,1H3
InChIKeyPPIKRHGHZKCAFI-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.37
Rot. Bonds2

About (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate

(1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate (PubChem CID 67217917) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate
PubChem CID67217917
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name(1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate
SMILESCCn1ccnc1OC(=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-2-12-4-3-11-6(12)14-5(13)7(8,9)10/h3-4H,2H2,1H3
InChIKeyPPIKRHGHZKCAFI-UHFFFAOYSA-N
XLogP1.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imidazole-1-acetic acid
CID 656129
1-Ethyl-3-methylimidazolium acetate
CID 11658353
1-(Trifluoroacetyl)imidazole
CID 73767
Methyl 1H-imidazol-1-ylacetate
CID 557332
N-(2,2,2-trifluoroethoxycarbonyl)imidazole
CID 133643
1-Ethyl-3-methylimidazolium Trifluoroacetate
CID 9815936
1-Butyl-3-methylimidazolium Trifluoroacetate
CID 10125280
1-Butyl-3-methylimidazolium Acetate
CID 15953398
1-Ethyl-3-methylimidazolium aminoacetate
CID 55212081
1H-Imidazolium, 1,3-diethyl-, acetate (1:1)
CID 86673486
1,3-Dimethylimidazolium acetate
CID 87103605
1-(2,2,2-trifluoroethyl)-1H-imidazole
CID 13288518

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate (CID 67217917) is (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate is CCn1ccnc1OC(=O)C(F)(F)F.
What is the InChIKey of (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is PPIKRHGHZKCAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-12-4-3-11-6(12)14-5(13)7(8,9)10/h3-4H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate?
(1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 208.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67217917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).