4-fluoro-2,2-dioxooxathian-6-one

C4H5FO4S — CID 59845299

IUPAC4-fluoro-2,2-dioxooxathian-6-one
SMILESO=C1CC(F)CS(=O)(=O)O1
InChIInChI=1S/C4H5FO4S/c5-3-1-4(6)9-10(7,8)2-3/h3H,1-2H2
InChIKeyVZFMBIGGLQFKKY-UHFFFAOYSA-N
MW168.14 g/mol
LogP-0.40
Rot. Bonds

About 4-fluoro-2,2-dioxooxathian-6-one

4-fluoro-2,2-dioxooxathian-6-one (PubChem CID 59845299) has the molecular formula C4H5FO4S and a molecular weight of 168.14 g/mol. Its IUPAC name is 4-fluoro-2,2-dioxooxathian-6-one.

Molecular Properties

Compound Name4-fluoro-2,2-dioxooxathian-6-one
PubChem CID59845299
Molecular FormulaC4H5FO4S
Molecular Weight168.14 g/mol
Exact Mass167.99
IUPAC Name4-fluoro-2,2-dioxooxathian-6-one
SMILESO=C1CC(F)CS(=O)(=O)O1
InChIInChI=1S/C4H5FO4S/c5-3-1-4(6)9-10(7,8)2-3/h3H,1-2H2
InChIKeyVZFMBIGGLQFKKY-UHFFFAOYSA-N
XLogP-0.40
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 5-0.40
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 4-fluoro-2,2-dioxooxathian-6-one?
The IUPAC name of 4-fluoro-2,2-dioxooxathian-6-one (CID 59845299) is 4-fluoro-2,2-dioxooxathian-6-one.
What is the SMILES notation for 4-fluoro-2,2-dioxooxathian-6-one?
The canonical SMILES for 4-fluoro-2,2-dioxooxathian-6-one is O=C1CC(F)CS(=O)(=O)O1.
What is the InChIKey of 4-fluoro-2,2-dioxooxathian-6-one?
The InChIKey is VZFMBIGGLQFKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO4S/c5-3-1-4(6)9-10(7,8)2-3/h3H,1-2H2.
What are the key properties of 4-fluoro-2,2-dioxooxathian-6-one?
4-fluoro-2,2-dioxooxathian-6-one has a molecular weight of 168.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dioxooxathian-6-one is sourced from PubChem (CID 59845299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).