bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium

C11H20F6N2O4S2 — CID 44629769

IUPACbis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium
SMILESC[N+](C)(C)C1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20N.C2F6NO4S2/c1-10(2,3)9-7-5-4-6-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,4-8H2,1-3H3;/q+1;-1
InChIKeyUFYPPIXBMHRHIA-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.08
Rot. Bonds3

About bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium

bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium (PubChem CID 44629769) has the molecular formula C11H20F6N2O4S2 and a molecular weight of 422.41 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium
PubChem CID44629769
Molecular FormulaC11H20F6N2O4S2
Molecular Weight422.41 g/mol
Exact Mass422.08
IUPAC Namebis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium
SMILESC[N+](C)(C)C1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H20N.C2F6NO4S2/c1-10(2,3)9-7-5-4-6-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,4-8H2,1-3H3;/q+1;-1
InChIKeyUFYPPIXBMHRHIA-UHFFFAOYSA-N
XLogP3.08
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.08
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;cyclohexyl(trimethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium (CID 44629769) is bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium is C[N+](C)(C)C1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium?
The InChIKey is UFYPPIXBMHRHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C2F6NO4S2/c1-10(2,3)9-7-5-4-6-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,4-8H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium has a molecular weight of 422.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium is sourced from PubChem (CID 44629769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).