2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide

C4F4O3S — CID 140992068

IUPAC2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide
SMILESO=S1(=O)C(F)=C(F)OC(F)=C1F
InChIInChI=1S/C4F4O3S/c5-1-3(7)12(9,10)4(8)2(6)11-1
InChIKeyHRMSBPBCDBUHNG-UHFFFAOYSA-N
MW204.10 g/mol
LogP1.56
Rot. Bonds

About 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide

2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide (PubChem CID 140992068) has the molecular formula C4F4O3S and a molecular weight of 204.10 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide
PubChem CID140992068
Molecular FormulaC4F4O3S
Molecular Weight204.10 g/mol
Exact Mass203.95
IUPAC Name2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide
SMILESO=S1(=O)C(F)=C(F)OC(F)=C1F
InChIInChI=1S/C4F4O3S/c5-1-3(7)12(9,10)4(8)2(6)11-1
InChIKeyHRMSBPBCDBUHNG-UHFFFAOYSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide?
The IUPAC name of 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide (CID 140992068) is 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide?
The canonical SMILES for 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide is O=S1(=O)C(F)=C(F)OC(F)=C1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide?
The InChIKey is HRMSBPBCDBUHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F4O3S/c5-1-3(7)12(9,10)4(8)2(6)11-1.
What are the key properties of 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide?
2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide has a molecular weight of 204.10 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-1,4-oxathiine 4,4-dioxide is sourced from PubChem (CID 140992068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).