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

C7H14F6N2O5S2 — CID 53260965

IUPACbis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1
InChIKeyXFXJXURAALDGSW-UHFFFAOYSA-N
MW384.32 g/mol
LogP0.74
Rot. Bonds4

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

bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium (PubChem CID 53260965) has the molecular formula C7H14F6N2O5S2 and a molecular weight of 384.32 g/mol. Its IUPAC name is bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Namebis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium
PubChem CID53260965
Molecular FormulaC7H14F6N2O5S2
Molecular Weight384.32 g/mol
Exact Mass384.02
IUPAC Namebis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1
InChIKeyXFXJXURAALDGSW-UHFFFAOYSA-N
XLogP0.74
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 50.74
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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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium (CID 53260965) is bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is XFXJXURAALDGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C2F6NO4S2/c1-6(2,3)4-5-7;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7H,4-5H2,1-3H3;/q+1;-1.
What are the key properties of bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium?
bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 384.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethylsulfonyl)azanide;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 53260965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).