6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

C2H3FO6S2 — CID 87128396

IUPAC6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESO=S1(=O)CS(=O)(=O)OC(F)O1
InChIInChI=1S/C2H3FO6S2/c3-2-8-10(4,5)1-11(6,7)9-2/h2H,1H2
InChIKeyNPJMTMJDAAIJIU-UHFFFAOYSA-N
MW206.17 g/mol
LogP-1.10
Rot. Bonds

About 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (PubChem CID 87128396) has the molecular formula C2H3FO6S2 and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.

Molecular Properties

Compound Name6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
PubChem CID87128396
Molecular FormulaC2H3FO6S2
Molecular Weight206.17 g/mol
Exact Mass205.94
IUPAC Name6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
SMILESO=S1(=O)CS(=O)(=O)OC(F)O1
InChIInChI=1S/C2H3FO6S2/c3-2-8-10(4,5)1-11(6,7)9-2/h2H,1H2
InChIKeyNPJMTMJDAAIJIU-UHFFFAOYSA-N
XLogP-1.10
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The IUPAC name of 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide (CID 87128396) is 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide.
What is the SMILES notation for 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The canonical SMILES for 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is O=S1(=O)CS(=O)(=O)OC(F)O1.
What is the InChIKey of 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
The InChIKey is NPJMTMJDAAIJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO6S2/c3-2-8-10(4,5)1-11(6,7)9-2/h2H,1H2.
What are the key properties of 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide?
6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide has a molecular weight of 206.17 g/mol, XLogP of -1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide is sourced from PubChem (CID 87128396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).