1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one

C5H7FO9S2 — CID 175563848

IUPAC1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1.O=S1(=O)CS(=O)(=O)OCO1
InChIInChI=1S/C3H3FO3.C2H4O6S2/c4-2-1-6-3(5)7-2;3-9(4)2-10(5,6)8-1-7-9/h2H,1H2;1-2H2
InChIKeyBJBJJHSXULVWRF-UHFFFAOYSA-N
MW294.23 g/mol
LogP-0.94
Rot. Bonds

About 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one

1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one (PubChem CID 175563848) has the molecular formula C5H7FO9S2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
PubChem CID175563848
Molecular FormulaC5H7FO9S2
Molecular Weight294.23 g/mol
Exact Mass293.95
IUPAC Name1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
SMILESO=C1OCC(F)O1.O=S1(=O)CS(=O)(=O)OCO1
InChIInChI=1S/C3H3FO3.C2H4O6S2/c4-2-1-6-3(5)7-2;3-9(4)2-10(5,6)8-1-7-9/h2H,1H2;1-2H2
InChIKeyBJBJJHSXULVWRF-UHFFFAOYSA-N
XLogP-0.94
TPSA122.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one?
The IUPAC name of 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one (CID 175563848) is 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one is O=C1OCC(F)O1.O=S1(=O)CS(=O)(=O)OCO1.
What is the InChIKey of 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one?
The InChIKey is BJBJJHSXULVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO3.C2H4O6S2/c4-2-1-6-3(5)7-2;3-9(4)2-10(5,6)8-1-7-9/h2H,1H2;1-2H2.
What are the key properties of 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one?
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one has a molecular weight of 294.23 g/mol, XLogP of -0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 175563848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).