3-(2,2,2-trifluoroethoxy)furan-2,5-dione

C6H3F3O4 — CID 90121093

IUPAC3-(2,2,2-trifluoroethoxy)furan-2,5-dione
SMILESO=C1C=C(OCC(F)(F)F)C(=O)O1
InChIInChI=1S/C6H3F3O4/c7-6(8,9)2-12-3-1-4(10)13-5(3)11/h1H,2H2
InChIKeyMQIPAXSGGPVIHO-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.53
Rot. Bonds2

About 3-(2,2,2-trifluoroethoxy)furan-2,5-dione

3-(2,2,2-trifluoroethoxy)furan-2,5-dione (PubChem CID 90121093) has the molecular formula C6H3F3O4 and a molecular weight of 196.08 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)furan-2,5-dione.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)furan-2,5-dione
PubChem CID90121093
Molecular FormulaC6H3F3O4
Molecular Weight196.08 g/mol
Exact Mass196.00
IUPAC Name3-(2,2,2-trifluoroethoxy)furan-2,5-dione
SMILESO=C1C=C(OCC(F)(F)F)C(=O)O1
InChIInChI=1S/C6H3F3O4/c7-6(8,9)2-12-3-1-4(10)13-5(3)11/h1H,2H2
InChIKeyMQIPAXSGGPVIHO-UHFFFAOYSA-N
XLogP0.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(2,2,2-trifluoroethoxy)furan-2,5-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-(2,2,2-trifluoroethoxy)furan-2,5-dione?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)furan-2,5-dione (CID 90121093) is 3-(2,2,2-trifluoroethoxy)furan-2,5-dione.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)furan-2,5-dione?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)furan-2,5-dione is O=C1C=C(OCC(F)(F)F)C(=O)O1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)furan-2,5-dione?
The InChIKey is MQIPAXSGGPVIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O4/c7-6(8,9)2-12-3-1-4(10)13-5(3)11/h1H,2H2.
What are the key properties of 3-(2,2,2-trifluoroethoxy)furan-2,5-dione?
3-(2,2,2-trifluoroethoxy)furan-2,5-dione has a molecular weight of 196.08 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethoxy)furan-2,5-dione is sourced from PubChem (CID 90121093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).