diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate

C14H17F3O6 — CID 132937871

IUPACdiethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=C(C(F)(F)F)OC1OCC
InChIInChI=1S/C14H17F3O6/c1-4-20-11(18)8-7-9(12(19)21-5-2)13(22-6-3)23-10(8)14(15,16)17/h7,13H,4-6H2,1-3H3
InChIKeyYRLQKLBABRHKHK-UHFFFAOYSA-N
MW338.28 g/mol
LogP2.25
Rot. Bonds6

About diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate

diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate (PubChem CID 132937871) has the molecular formula C14H17F3O6 and a molecular weight of 338.28 g/mol. Its IUPAC name is diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate
PubChem CID132937871
Molecular FormulaC14H17F3O6
Molecular Weight338.28 g/mol
Exact Mass338.10
IUPAC Namediethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)=C(C(F)(F)F)OC1OCC
InChIInChI=1S/C14H17F3O6/c1-4-20-11(18)8-7-9(12(19)21-5-2)13(22-6-3)23-10(8)14(15,16)17/h7,13H,4-6H2,1-3H3
InChIKeyYRLQKLBABRHKHK-UHFFFAOYSA-N
XLogP2.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate 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

Methyl 5-butoxy-4,4-difluoro-3-oxocyclohexa-1,5-diene-1-carboxylate
CID 70832174
Diethyl 2-ethoxy-6-oxopyran-3,5-dicarboxylate
CID 283480
Ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-6-oxopyran-3-carboxylate
CID 15636167
ethyl 2-ethoxy-4,5,6-trimethyl-2H-pyran-3-carboxylate
CID 101943687
trimethyl 2-ethoxy-2H-pyran-3,5,6-tricarboxylate
CID 102577210
5-O-ethyl 3-O,6-O-dimethyl 2-ethoxy-2H-pyran-3,5,6-tricarboxylate
CID 102577211

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate?
The IUPAC name of diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate (CID 132937871) is diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate is CCOC(=O)C1=CC(C(=O)OCC)=C(C(F)(F)F)OC1OCC.
What is the InChIKey of diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate?
The InChIKey is YRLQKLBABRHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O6/c1-4-20-11(18)8-7-9(12(19)21-5-2)13(22-6-3)23-10(8)14(15,16)17/h7,13H,4-6H2,1-3H3.
What are the key properties of diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate?
diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate has a molecular weight of 338.28 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethoxy-6-(trifluoromethyl)-2H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 132937871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).