1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride

C3HF8NO6S3 — CID 58852805

IUPAC1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3HF8NO6S3/c4-1(5,19(11,13)14)2(6,7)20(15,16)12-21(17,18)3(8,9)10/h12H
InChIKeyLZOYOWKAMJKYSM-UHFFFAOYSA-N
MW395.23 g/mol
LogP0.24
Rot. Bonds5

About 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride (PubChem CID 58852805) has the molecular formula C3HF8NO6S3 and a molecular weight of 395.23 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride
PubChem CID58852805
Molecular FormulaC3HF8NO6S3
Molecular Weight395.23 g/mol
Exact Mass394.88
IUPAC Name1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3HF8NO6S3/c4-1(5,19(11,13)14)2(6,7)20(15,16)12-21(17,18)3(8,9)10/h12H
InChIKeyLZOYOWKAMJKYSM-UHFFFAOYSA-N
XLogP0.24
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
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 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride (CID 58852805) is 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride?
The InChIKey is LZOYOWKAMJKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF8NO6S3/c4-1(5,19(11,13)14)2(6,7)20(15,16)12-21(17,18)3(8,9)10/h12H.
What are the key properties of 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride has a molecular weight of 395.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride is sourced from PubChem (CID 58852805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).