1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride

C4HF10NO6S3 — CID 58852789

IUPAC1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4HF10NO6S3/c5-1(6,2(7,8)22(14,16)17)3(9,10)23(18,19)15-24(20,21)4(11,12)13/h15H
InChIKeyTWNKQRPUCNSJFA-UHFFFAOYSA-N
MW445.23 g/mol
LogP0.88
Rot. Bonds6

About 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride

1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride (PubChem CID 58852789) has the molecular formula C4HF10NO6S3 and a molecular weight of 445.23 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
PubChem CID58852789
Molecular FormulaC4HF10NO6S3
Molecular Weight445.23 g/mol
Exact Mass444.88
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4HF10NO6S3/c5-1(6,2(7,8)22(14,16)17)3(9,10)23(18,19)15-24(20,21)4(11,12)13/h15H
InChIKeyTWNKQRPUCNSJFA-UHFFFAOYSA-N
XLogP0.88
TPSA114.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
Potassium bis(nonafluorobutanesulfonyl)imide
CID 11319533
1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Lithium Bis(1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonyl)imide
CID 14876273
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Octafluorobutane-1,4-disulfonamide
CID 11631855
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Ammonium N,N-bis(perfluorobutanesulfonyl)amide
CID 11180926
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
Bis(perfluoroethylsulfonyl)imide
CID 4067273
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-((perfluorohexyl)sulfonyl)hexane-1-sulfonamide
CID 10898051

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride (CID 58852789) is 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride?
The InChIKey is TWNKQRPUCNSJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF10NO6S3/c5-1(6,2(7,8)22(14,16)17)3(9,10)23(18,19)15-24(20,21)4(11,12)13/h15H.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride?
1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride has a molecular weight of 445.23 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 58852789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).