bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium

C8H12F10N2O4S2 — CID 139196126

IUPACbis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10NO4S2.C4H12N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-5(2,3)4/h;1-4H3/q-1;+1
InChIKeyRWFUYWJHEUIYIY-UHFFFAOYSA-N
MW454.31 g/mol
LogP2.65
Rot. Bonds4

About bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium

bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium (PubChem CID 139196126) has the molecular formula C8H12F10N2O4S2 and a molecular weight of 454.31 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium
PubChem CID139196126
Molecular FormulaC8H12F10N2O4S2
Molecular Weight454.31 g/mol
Exact Mass454.01
IUPAC Namebis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10NO4S2.C4H12N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-5(2,3)4/h;1-4H3/q-1;+1
InChIKeyRWFUYWJHEUIYIY-UHFFFAOYSA-N
XLogP2.65
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
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 bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium (CID 139196126) is bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium is C[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium?
The InChIKey is RWFUYWJHEUIYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10NO4S2.C4H12N/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;1-5(2,3)4/h;1-4H3/q-1;+1.
What are the key properties of bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium?
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium has a molecular weight of 454.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;tetramethylazanium is sourced from PubChem (CID 139196126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).