3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide

C3H2F4O5S2 — CID 58040761

IUPAC3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
SMILESO=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)O1
InChIInChI=1S/C3H2F4O5S2/c4-2(5)1-13(8,9)12-14(10,11)3(2,6)7/h1H2
InChIKeyQYTJPJGCCRDQBT-UHFFFAOYSA-N
MW258.17 g/mol
LogP-0.10
Rot. Bonds

About 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide

3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide (PubChem CID 58040761) has the molecular formula C3H2F4O5S2 and a molecular weight of 258.17 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
PubChem CID58040761
Molecular FormulaC3H2F4O5S2
Molecular Weight258.17 g/mol
Exact Mass257.93
IUPAC Name3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide
SMILESO=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)O1
InChIInChI=1S/C3H2F4O5S2/c4-2(5)1-13(8,9)12-14(10,11)3(2,6)7/h1H2
InChIKeyQYTJPJGCCRDQBT-UHFFFAOYSA-N
XLogP-0.10
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
The IUPAC name of 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide (CID 58040761) is 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
The canonical SMILES for 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide is O=S1(=O)CC(F)(F)C(F)(F)S(=O)(=O)O1.
What is the InChIKey of 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
The InChIKey is QYTJPJGCCRDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O5S2/c4-2(5)1-13(8,9)12-14(10,11)3(2,6)7/h1H2.
What are the key properties of 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide?
3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide has a molecular weight of 258.17 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1,2,6-oxadithiane 2,2,6,6-tetraoxide is sourced from PubChem (CID 58040761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).