(4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate

C7H6F2O6 — CID 58185941

IUPAC(4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1C(=O)OC(=O)C1O
InChIInChI=1S/C7H6F2O6/c1-7(8,9)6(13)14-3-2(10)4(11)15-5(3)12/h2-3,10H,1H3
InChIKeyRDOQFRRORXMFIZ-UHFFFAOYSA-N
MW224.11 g/mol
LogP-1.00
Rot. Bonds2

About (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate

(4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate (PubChem CID 58185941) has the molecular formula C7H6F2O6 and a molecular weight of 224.11 g/mol. Its IUPAC name is (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate
PubChem CID58185941
Molecular FormulaC7H6F2O6
Molecular Weight224.11 g/mol
Exact Mass224.01
IUPAC Name(4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1C(=O)OC(=O)C1O
InChIInChI=1S/C7H6F2O6/c1-7(8,9)6(13)14-3-2(10)4(11)15-5(3)12/h2-3,10H,1H3
InChIKeyRDOQFRRORXMFIZ-UHFFFAOYSA-N
XLogP-1.00
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate 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 (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate?
The IUPAC name of (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate (CID 58185941) is (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate.
What is the SMILES notation for (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate?
The canonical SMILES for (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1C(=O)OC(=O)C1O.
What is the InChIKey of (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate?
The InChIKey is RDOQFRRORXMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O6/c1-7(8,9)6(13)14-3-2(10)4(11)15-5(3)12/h2-3,10H,1H3.
What are the key properties of (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate?
(4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate has a molecular weight of 224.11 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,5-dioxooxolan-3-yl) 2,2-difluoropropanoate is sourced from PubChem (CID 58185941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).