oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

C13H20F3N2O6- — CID 139244710

IUPACoxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)[NH+]1O.O=C([O-])C(=O)[O-]
InChIInChI=1S/C11H19F3N2O2.C2H2O4/c1-9(2)5-7(6-10(3,4)16(9)18)15-8(17)11(12,13)14;3-1(4)2(5)6/h7,18H,5-6H2,1-4H3,(H,15,17);(H,3,4)(H,5,6)/p-1
InChIKeyWULKYKSBKNXSCX-UHFFFAOYSA-M
MW357.31 g/mol
LogP-2.86
Rot. Bonds1

About oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (PubChem CID 139244710) has the molecular formula C13H20F3N2O6- and a molecular weight of 357.31 g/mol. Its IUPAC name is oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Nameoxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
PubChem CID139244710
Molecular FormulaC13H20F3N2O6-
Molecular Weight357.31 g/mol
Exact Mass357.13
IUPAC Nameoxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)[NH+]1O.O=C([O-])C(=O)[O-]
InChIInChI=1S/C11H19F3N2O2.C2H2O4/c1-9(2)5-7(6-10(3,4)16(9)18)15-8(17)11(12,13)14;3-1(4)2(5)6/h7,18H,5-6H2,1-4H3,(H,15,17);(H,3,4)(H,5,6)/p-1
InChIKeyWULKYKSBKNXSCX-UHFFFAOYSA-M
XLogP-2.86
TPSA134.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 5-2.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (CID 139244710) is oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is CC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)[NH+]1O.O=C([O-])C(=O)[O-].
What is the InChIKey of oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is WULKYKSBKNXSCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H19F3N2O2.C2H2O4/c1-9(2)5-7(6-10(3,4)16(9)18)15-8(17)11(12,13)14;3-1(4)2(5)6/h7,18H,5-6H2,1-4H3,(H,15,17);(H,3,4)(H,5,6)/p-1.
What are the key properties of oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 357.31 g/mol, XLogP of -2.86, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalate;2,2,2-trifluoro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 139244710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).