5,5-difluoro-2,2-dioxooxathian-6-one

C4H4F2O4S — CID 59845303

IUPAC5,5-difluoro-2,2-dioxooxathian-6-one
SMILESO=C1OS(=O)(=O)CCC1(F)F
InChIInChI=1S/C4H4F2O4S/c5-4(6)1-2-11(8,9)10-3(4)7/h1-2H2
InChIKeyYRLBYDHNMKPWEN-UHFFFAOYSA-N
MW186.13 g/mol
LogP-0.10
Rot. Bonds

About 5,5-difluoro-2,2-dioxooxathian-6-one

5,5-difluoro-2,2-dioxooxathian-6-one (PubChem CID 59845303) has the molecular formula C4H4F2O4S and a molecular weight of 186.13 g/mol. Its IUPAC name is 5,5-difluoro-2,2-dioxooxathian-6-one.

Molecular Properties

Compound Name5,5-difluoro-2,2-dioxooxathian-6-one
PubChem CID59845303
Molecular FormulaC4H4F2O4S
Molecular Weight186.13 g/mol
Exact Mass185.98
IUPAC Name5,5-difluoro-2,2-dioxooxathian-6-one
SMILESO=C1OS(=O)(=O)CCC1(F)F
InChIInChI=1S/C4H4F2O4S/c5-4(6)1-2-11(8,9)10-3(4)7/h1-2H2
InChIKeyYRLBYDHNMKPWEN-UHFFFAOYSA-N
XLogP-0.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,2-dioxooxathian-6-one?
The IUPAC name of 5,5-difluoro-2,2-dioxooxathian-6-one (CID 59845303) is 5,5-difluoro-2,2-dioxooxathian-6-one.
What is the SMILES notation for 5,5-difluoro-2,2-dioxooxathian-6-one?
The canonical SMILES for 5,5-difluoro-2,2-dioxooxathian-6-one is O=C1OS(=O)(=O)CCC1(F)F.
What is the InChIKey of 5,5-difluoro-2,2-dioxooxathian-6-one?
The InChIKey is YRLBYDHNMKPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O4S/c5-4(6)1-2-11(8,9)10-3(4)7/h1-2H2.
What are the key properties of 5,5-difluoro-2,2-dioxooxathian-6-one?
5,5-difluoro-2,2-dioxooxathian-6-one has a molecular weight of 186.13 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,2-dioxooxathian-6-one is sourced from PubChem (CID 59845303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).