4,4-difluorooxane-2,6-dione

C5H4F2O3 — CID 89119356

IUPAC4,4-difluorooxane-2,6-dione
SMILESO=C1CC(F)(F)CC(=O)O1
InChIInChI=1S/C5H4F2O3/c6-5(7)1-3(8)10-4(9)2-5/h1-2H2
InChIKeyLNLDXLRVPQIPFD-UHFFFAOYSA-N
MW150.08 g/mol
LogP0.49
Rot. Bonds

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

4,4-difluorooxane-2,6-dione (PubChem CID 89119356) has the molecular formula C5H4F2O3 and a molecular weight of 150.08 g/mol. Its IUPAC name is 4,4-difluorooxane-2,6-dione.

Molecular Properties

Compound Name4,4-difluorooxane-2,6-dione
PubChem CID89119356
Molecular FormulaC5H4F2O3
Molecular Weight150.08 g/mol
Exact Mass150.01
IUPAC Name4,4-difluorooxane-2,6-dione
SMILESO=C1CC(F)(F)CC(=O)O1
InChIInChI=1S/C5H4F2O3/c6-5(7)1-3(8)10-4(9)2-5/h1-2H2
InChIKeyLNLDXLRVPQIPFD-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glutaric anhydride
CID 7940
3,3,4,4,5,5-hexafluorodihydro-2H-pyran-2,6(3H)-dione
CID 78995
3,3-Difluorooxane-2,6-dione
CID 53956637
4-(Pentafluoroethyl)oxane-2,6-dione
CID 54499458
4-(Difluoromethyl)oxane-2,6-dione
CID 54546027
3-Fluorooxan-2-one
CID 23349513
3,3,4,4,5,5-Hexafluorooxan-2-one
CID 21732396
4-(Trifluoromethyl)dihydro-2H-pyran-2,6(3H)-dione
CID 15744244
3-Fluorooxane-2,6-dione
CID 54070432
3,3-Difluorooxan-2-one
CID 66730031
3,3,4,4-Tetrafluorooxane-2,6-dione
CID 87414431
3,4-Difluorooxane-2,6-dione
CID 88750979

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorooxane-2,6-dione?
The IUPAC name of 4,4-difluorooxane-2,6-dione (CID 89119356) is 4,4-difluorooxane-2,6-dione.
What is the SMILES notation for 4,4-difluorooxane-2,6-dione?
The canonical SMILES for 4,4-difluorooxane-2,6-dione is O=C1CC(F)(F)CC(=O)O1.
What is the InChIKey of 4,4-difluorooxane-2,6-dione?
The InChIKey is LNLDXLRVPQIPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2O3/c6-5(7)1-3(8)10-4(9)2-5/h1-2H2.
What are the key properties of 4,4-difluorooxane-2,6-dione?
4,4-difluorooxane-2,6-dione has a molecular weight of 150.08 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorooxane-2,6-dione is sourced from PubChem (CID 89119356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).