tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C5H13F4N2O4S2+ — CID 118659677

IUPACtetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H12N.CHF4NO4S2/c1-5(2,3)4;2-1(3,4)11(7,8)6-12(5,9)10/h1-4H3;6H/q+1;
InChIKeyMPVFMTIODJMLRU-UHFFFAOYSA-N
MW305.30 g/mol
LogP-0.04
Rot. Bonds2

About tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659677) has the molecular formula C5H13F4N2O4S2+ and a molecular weight of 305.30 g/mol. Its IUPAC name is tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound Nametetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID118659677
Molecular FormulaC5H13F4N2O4S2+
Molecular Weight305.30 g/mol
Exact Mass305.02
IUPAC Nametetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESC[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H12N.CHF4NO4S2/c1-5(2,3)4;2-1(3,4)11(7,8)6-12(5,9)10/h1-4H3;6H/q+1;
InChIKeyMPVFMTIODJMLRU-UHFFFAOYSA-N
XLogP-0.04
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 118659677) is tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is C[N+](C)(C)C.O=S(=O)(F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is MPVFMTIODJMLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.CHF4NO4S2/c1-5(2,3)4;2-1(3,4)11(7,8)6-12(5,9)10/h1-4H3;6H/q+1;.
What are the key properties of tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 305.30 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).