3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one

C2F2O7S2 — CID 58781637

IUPAC3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one
SMILESO=C1OS(=O)(=O)C(F)(F)S(=O)(=O)O1
InChIInChI=1S/C2F2O7S2/c3-2(4)12(6,7)10-1(5)11-13(2,8)9
InChIKeyKHXSOXZLUKSITJ-UHFFFAOYSA-N
MW238.14 g/mol
LogP-0.64
Rot. Bonds

About 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one

3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one (PubChem CID 58781637) has the molecular formula C2F2O7S2 and a molecular weight of 238.14 g/mol. Its IUPAC name is 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one.

Molecular Properties

Compound Name3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one
PubChem CID58781637
Molecular FormulaC2F2O7S2
Molecular Weight238.14 g/mol
Exact Mass237.91
IUPAC Name3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one
SMILESO=C1OS(=O)(=O)C(F)(F)S(=O)(=O)O1
InChIInChI=1S/C2F2O7S2/c3-2(4)12(6,7)10-1(5)11-13(2,8)9
InChIKeyKHXSOXZLUKSITJ-UHFFFAOYSA-N
XLogP-0.64
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dioxooxathiiran-3-one
CID 54156769
3,3,4,4,5,5-hexafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
CID 20749597
(3-chloro-4,4-difluoro-2,2-dioxooxathietan-3-yl)-pentafluoro-lambda6-sulfane
CID 15717517
2,2,3,3-tetrafluorocyclopropan-1-one
CID 175052799
3,3,4,4,5,5,6,6,7,7-decafluoro-1,2,8-oxadithiocane 2,2,8,8-tetraoxide
CID 54080609
3,3,4,4-tetrafluorocyclopentan-1-one
CID 89251149
2,2,4,4,5,5-hexafluoro-1,3-oxathiolane 3,3-dioxide
CID 23234533
2,2,3,4,5,5-hexafluorothiophene 1,1-dioxide
CID 89312231
3,4,4-trifluoro-2-hydroxy-1-oxa-2λ6-thiacyclobut-2-ene 2-oxide
CID 123700396
3,4,4-trifluoro-3-[1,1,2,2-tetrafluoro-2-(3,4,4-trifluoro-2,2-dioxooxathietan-3-yl)ethyl]oxathietane 2,2-dioxide
CID 14203451
2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione
CID 58275977
3,3,4,4,5-pentafluoro-5-methyl-1,2,6-oxadithiane 2,2,6,6-tetraoxide
CID 163546247

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one?
The IUPAC name of 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one (CID 58781637) is 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one.
What is the SMILES notation for 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one?
The canonical SMILES for 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one is O=C1OS(=O)(=O)C(F)(F)S(=O)(=O)O1.
What is the InChIKey of 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one?
The InChIKey is KHXSOXZLUKSITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F2O7S2/c3-2(4)12(6,7)10-1(5)11-13(2,8)9.
What are the key properties of 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one?
3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one has a molecular weight of 238.14 g/mol, XLogP of -0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithian-6-one is sourced from PubChem (CID 58781637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).