N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium

C6H13F6N2O4S2+ — CID 118659642

IUPACN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.C2HF6NO4S2/c1-5(2,3)4;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h1-4H3;9H/q+1;
InChIKeyGJOMKDPHWAJGSO-UHFFFAOYSA-N
MW355.30 g/mol
LogP0.60
Rot. Bonds3

About N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium

N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium (PubChem CID 118659642) has the molecular formula C6H13F6N2O4S2+ and a molecular weight of 355.30 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium
PubChem CID118659642
Molecular FormulaC6H13F6N2O4S2+
Molecular Weight355.30 g/mol
Exact Mass355.02
IUPAC NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.C2HF6NO4S2/c1-5(2,3)4;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h1-4H3;9H/q+1;
InChIKeyGJOMKDPHWAJGSO-UHFFFAOYSA-N
XLogP0.60
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium (CID 118659642) is N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium is C[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium?
The InChIKey is GJOMKDPHWAJGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C2HF6NO4S2/c1-5(2,3)4;3-1(4,5)2(6,7)14(10,11)9-15(8,12)13/h1-4H3;9H/q+1;.
What are the key properties of N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium?
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium has a molecular weight of 355.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;tetramethylazanium is sourced from PubChem (CID 118659642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).