ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate

C12H9F3N2O2 — CID 15365257

IUPACethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c1-2-19-11(18)9-10(12(13,14)15)17-8-6-4-3-5-7(8)16-9/h3-6H,2H2,1H3
InChIKeyHBIZLJRVCDTEIZ-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.83
Rot. Bonds2

About ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate

ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate (PubChem CID 15365257) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate
PubChem CID15365257
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Nameethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c1-2-19-11(18)9-10(12(13,14)15)17-8-6-4-3-5-7(8)16-9/h3-6H,2H2,1H3
InChIKeyHBIZLJRVCDTEIZ-UHFFFAOYSA-N
XLogP2.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate (CID 15365257) is ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1C(F)(F)F.
What is the InChIKey of ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate?
The InChIKey is HBIZLJRVCDTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-2-19-11(18)9-10(12(13,14)15)17-8-6-4-3-5-7(8)16-9/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate?
ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate has a molecular weight of 270.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate is sourced from PubChem (CID 15365257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).