bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium

C10H20F6N2O5S2 — CID 131742271

IUPACbis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium
SMILESCC[N+](CC)(CC)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H20NO.C2F6NO4S2/c1-4-9(5-2,6-3)7-8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,4-8H2,1-3H3;/q+1;-1
InChIKeyQDONWNLVQRYZHH-UHFFFAOYSA-N
MW426.40 g/mol
LogP1.91
Rot. Bonds7

About bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium

bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium (PubChem CID 131742271) has the molecular formula C10H20F6N2O5S2 and a molecular weight of 426.40 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium
PubChem CID131742271
Molecular FormulaC10H20F6N2O5S2
Molecular Weight426.40 g/mol
Exact Mass426.07
IUPAC Namebis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium
SMILESCC[N+](CC)(CC)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H20NO.C2F6NO4S2/c1-4-9(5-2,6-3)7-8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,4-8H2,1-3H3;/q+1;-1
InChIKeyQDONWNLVQRYZHH-UHFFFAOYSA-N
XLogP1.91
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Choline bis(trifluoromethylsulfonyl)imide
CID 53260965
Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
qaPFSMf n=5
CID 139594771
qaPFSMf n=4
CID 139595660
qaPFSMf n=2
CID 139595724
qaPFSMf n=3
CID 139596615
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
Ethyl(2-hydroxyethyl)-dimethylammonium bis(trifluoromethylsulfonyl)amide
CID 129707198
N-(2-hydroxyethyl)-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)amide
CID 131742275
Triethylethoxyethylammonium bis(trifluoromethylsulfonyl)amide
CID 134716438
Tetrakis(2-hydroxyethyl)ammonium trifluoromethane sulfonate
CID 17757869
Ethylcholine bis(trifluoromethylsulfonyl)imide
CID 129844255

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium (CID 131742271) is bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium is CC[N+](CC)(CC)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium?
The InChIKey is QDONWNLVQRYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO.C2F6NO4S2/c1-4-9(5-2,6-3)7-8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10H,4-8H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium has a molecular weight of 426.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;triethyl(2-hydroxyethyl)azanium is sourced from PubChem (CID 131742271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).