3,4-difluorooxane-2,6-dione

C5H4F2O3 — CID 88750979

IUPAC3,4-difluorooxane-2,6-dione
SMILESO=C1CC(F)C(F)C(=O)O1
InChIInChI=1S/C5H4F2O3/c6-2-1-3(8)10-5(9)4(2)7/h2,4H,1H2
InChIKeyDYQXCKVBLXTMFJ-UHFFFAOYSA-N
MW150.08 g/mol
LogP0.14
Rot. Bonds

About 3,4-difluorooxane-2,6-dione

3,4-difluorooxane-2,6-dione (PubChem CID 88750979) has the molecular formula C5H4F2O3 and a molecular weight of 150.08 g/mol. Its IUPAC name is 3,4-difluorooxane-2,6-dione.

Molecular Properties

Compound Name3,4-difluorooxane-2,6-dione
PubChem CID88750979
Molecular FormulaC5H4F2O3
Molecular Weight150.08 g/mol
Exact Mass150.01
IUPAC Name3,4-difluorooxane-2,6-dione
SMILESO=C1CC(F)C(F)C(=O)O1
InChIInChI=1S/C5H4F2O3/c6-2-1-3(8)10-5(9)4(2)7/h2,4H,1H2
InChIKeyDYQXCKVBLXTMFJ-UHFFFAOYSA-N
XLogP0.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.08
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-difluorooxane-2,6-dione 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

Glutaric anhydride
CID 7940
3,3-Difluorooxane-2,6-dione
CID 53956637
4-(Difluoromethyl)oxane-2,6-dione
CID 54546027
4,4-Difluorooxane-2,6-dione
CID 89119356
3-Fluorooxan-2-one
CID 23349513
4-(Fluoromethyl)oxane-2,6-dione
CID 14895214
4-(Trifluoromethyl)dihydro-2H-pyran-2,6(3H)-dione
CID 15744244
Fluoro 5-fluoro-5-oxopentanoate
CID 53918481
3-Fluorooxane-2,6-dione
CID 54070432
3,3-Difluorooxan-2-one
CID 66730031
3,3,4,4-Tetrafluorooxane-2,6-dione
CID 87414431
6-Fluorooxan-2-one
CID 89807142

Frequently Asked Questions

What is the IUPAC name of 3,4-difluorooxane-2,6-dione?
The IUPAC name of 3,4-difluorooxane-2,6-dione (CID 88750979) is 3,4-difluorooxane-2,6-dione.
What is the SMILES notation for 3,4-difluorooxane-2,6-dione?
The canonical SMILES for 3,4-difluorooxane-2,6-dione is O=C1CC(F)C(F)C(=O)O1.
What is the InChIKey of 3,4-difluorooxane-2,6-dione?
The InChIKey is DYQXCKVBLXTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2O3/c6-2-1-3(8)10-5(9)4(2)7/h2,4H,1H2.
What are the key properties of 3,4-difluorooxane-2,6-dione?
3,4-difluorooxane-2,6-dione has a molecular weight of 150.08 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorooxane-2,6-dione is sourced from PubChem (CID 88750979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).