3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione

C8H6F6O3 — CID 13418450

IUPAC3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
SMILESCCOC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H6F6O3/c1-2-17-3-4(5(15)7(9,10)11)6(16)8(12,13)14/h3H,2H2,1H3
InChIKeyWMWGQCRNEUZSSV-UHFFFAOYSA-N
MW264.12 g/mol
LogP2.17
Rot. Bonds4

About 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione

3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione (PubChem CID 13418450) has the molecular formula C8H6F6O3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione.

Molecular Properties

Compound Name3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
PubChem CID13418450
Molecular FormulaC8H6F6O3
Molecular Weight264.12 g/mol
Exact Mass264.02
IUPAC Name3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
SMILESCCOC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C8H6F6O3/c1-2-17-3-4(5(15)7(9,10)11)6(16)8(12,13)14/h3H,2H2,1H3
InChIKeyWMWGQCRNEUZSSV-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione 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 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione?
The IUPAC name of 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione (CID 13418450) is 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione.
What is the SMILES notation for 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione?
The canonical SMILES for 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione is CCOC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione?
The InChIKey is WMWGQCRNEUZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O3/c1-2-17-3-4(5(15)7(9,10)11)6(16)8(12,13)14/h3H,2H2,1H3.
What are the key properties of 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione?
3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione has a molecular weight of 264.12 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione is sourced from PubChem (CID 13418450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).