4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide

C4HF7O6S3 — CID 22095324

IUPAC4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESO=S(=O)(C1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O)C(F)(F)F
InChIInChI=1S/C4HF7O6S3/c5-2(6)3(7,8)19(14,15)1(18(2,12)13)20(16,17)4(9,10)11/h1H
InChIKeyOBHRPNCAIANRPJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP0.23
Rot. Bonds1

About 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide

4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide (PubChem CID 22095324) has the molecular formula C4HF7O6S3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide
PubChem CID22095324
Molecular FormulaC4HF7O6S3
Molecular Weight374.23 g/mol
Exact Mass373.88
IUPAC Name4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide
SMILESO=S(=O)(C1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O)C(F)(F)F
InChIInChI=1S/C4HF7O6S3/c5-2(6)3(7,8)19(14,15)1(18(2,12)13)20(16,17)4(9,10)11/h1H
InChIKeyOBHRPNCAIANRPJ-UHFFFAOYSA-N
XLogP0.23
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide (CID 22095324) is 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide is O=S(=O)(C1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O)C(F)(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide?
The InChIKey is OBHRPNCAIANRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O6S3/c5-2(6)3(7,8)19(14,15)1(18(2,12)13)20(16,17)4(9,10)11/h1H.
What are the key properties of 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide?
4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide has a molecular weight of 374.23 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-(trifluoromethylsulfonyl)-1,3-dithiolane 1,1,3,3-tetraoxide is sourced from PubChem (CID 22095324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).