ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate

C14H13F3N2O3 — CID 10829041

IUPACethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1OCC
InChIInChI=1S/C14H13F3N2O3/c1-3-21-12-11(13(20)22-4-2)18-9-6-5-8(14(15,16)17)7-10(9)19-12/h5-7H,3-4H2,1-2H3
InChIKeyMZHCKBWUPQWVPB-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.22
Rot. Bonds4

About ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate

ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate (PubChem CID 10829041) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate
PubChem CID10829041
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Nameethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1OCC
InChIInChI=1S/C14H13F3N2O3/c1-3-21-12-11(13(20)22-4-2)18-9-6-5-8(14(15,16)17)7-10(9)19-12/h5-7H,3-4H2,1-2H3
InChIKeyMZHCKBWUPQWVPB-UHFFFAOYSA-N
XLogP3.22
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate (CID 10829041) is ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1OCC.
What is the InChIKey of ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate?
The InChIKey is MZHCKBWUPQWVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-3-21-12-11(13(20)22-4-2)18-9-6-5-8(14(15,16)17)7-10(9)19-12/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate?
ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate has a molecular weight of 314.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-6-(trifluoromethyl)quinoxaline-2-carboxylate is sourced from PubChem (CID 10829041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).