ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate

C10H8F4O4 — CID 52991918

IUPACethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)oc(C(F)F)cc1=O
InChIInChI=1S/C10H8F4O4/c1-2-17-10(16)6-4(15)3-5(8(11)12)18-7(6)9(13)14/h3,8-9H,2H2,1H3
InChIKeySGIBZSOVJVHQNA-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.69
Rot. Bonds4

About ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate

ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate (PubChem CID 52991918) has the molecular formula C10H8F4O4 and a molecular weight of 268.16 g/mol. Its IUPAC name is ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate
PubChem CID52991918
Molecular FormulaC10H8F4O4
Molecular Weight268.16 g/mol
Exact Mass268.04
IUPAC Nameethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)oc(C(F)F)cc1=O
InChIInChI=1S/C10H8F4O4/c1-2-17-10(16)6-4(15)3-5(8(11)12)18-7(6)9(13)14/h3,8-9H,2H2,1H3
InChIKeySGIBZSOVJVHQNA-UHFFFAOYSA-N
XLogP2.69
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-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 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate?
The IUPAC name of ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate (CID 52991918) is ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate.
What is the SMILES notation for ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate?
The canonical SMILES for ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate is CCOC(=O)c1c(C(F)F)oc(C(F)F)cc1=O.
What is the InChIKey of ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate?
The InChIKey is SGIBZSOVJVHQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O4/c1-2-17-10(16)6-4(15)3-5(8(11)12)18-7(6)9(13)14/h3,8-9H,2H2,1H3.
What are the key properties of ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate?
ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate has a molecular weight of 268.16 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-bis(difluoromethyl)-4-oxopyran-3-carboxylate is sourced from PubChem (CID 52991918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).