bis(trifluoromethylsulfonyl)azanide;tetramethylazanium

C6H12F6N2O4S2 — CID 87457638

IUPACbis(trifluoromethylsulfonyl)azanide;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H12N.C2F6NO4S2/c1-5(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-4H3;/q+1;-1
InChIKeyJTCSZQBQVDPVMT-UHFFFAOYSA-N
MW354.29 g/mol
LogP1.38
Rot. Bonds2

About bis(trifluoromethylsulfonyl)azanide;tetramethylazanium

bis(trifluoromethylsulfonyl)azanide;tetramethylazanium (PubChem CID 87457638) has the molecular formula C6H12F6N2O4S2 and a molecular weight of 354.29 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;tetramethylazanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;tetramethylazanium
PubChem CID87457638
Molecular FormulaC6H12F6N2O4S2
Molecular Weight354.29 g/mol
Exact Mass354.01
IUPAC Namebis(trifluoromethylsulfonyl)azanide;tetramethylazanium
SMILESC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H12N.C2F6NO4S2/c1-5(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-4H3;/q+1;-1
InChIKeyJTCSZQBQVDPVMT-UHFFFAOYSA-N
XLogP1.38
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
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 bis(trifluoromethylsulfonyl)azanide;tetramethylazanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;tetramethylazanium (CID 87457638) is bis(trifluoromethylsulfonyl)azanide;tetramethylazanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;tetramethylazanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;tetramethylazanium is C[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;tetramethylazanium?
The InChIKey is JTCSZQBQVDPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.C2F6NO4S2/c1-5(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-4H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;tetramethylazanium?
bis(trifluoromethylsulfonyl)azanide;tetramethylazanium has a molecular weight of 354.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;tetramethylazanium is sourced from PubChem (CID 87457638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).