diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate

C10H10F3N3O4 — CID 132821491

IUPACdiethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O4/c1-3-19-7(17)5-14-6(8(18)20-4-2)16-9(15-5)10(11,12)13/h3-4H2,1-2H3
InChIKeyQDMSMEDQJDWQRS-UHFFFAOYSA-N
MW293.20 g/mol
LogP1.24
Rot. Bonds4

About diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate

diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate (PubChem CID 132821491) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate
PubChem CID132821491
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Namediethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N3O4/c1-3-19-7(17)5-14-6(8(18)20-4-2)16-9(15-5)10(11,12)13/h3-4H2,1-2H3
InChIKeyQDMSMEDQJDWQRS-UHFFFAOYSA-N
XLogP1.24
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate?
The IUPAC name of diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate (CID 132821491) is diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate?
The canonical SMILES for diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OCC)nc(C(F)(F)F)n1.
What is the InChIKey of diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate?
The InChIKey is QDMSMEDQJDWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c1-3-19-7(17)5-14-6(8(18)20-4-2)16-9(15-5)10(11,12)13/h3-4H2,1-2H3.
What are the key properties of diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate?
diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate has a molecular weight of 293.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate is sourced from PubChem (CID 132821491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).