2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C11H19F3N2O — CID 885926

IUPAC2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C11H19F3N2O/c1-9(2)5-7(6-10(3,4)16-9)15-8(17)11(12,13)14/h7,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyKHSBEFUAAXINMS-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.97
Rot. Bonds1

About 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 885926) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID885926
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1
InChIInChI=1S/C11H19F3N2O/c1-9(2)5-7(6-10(3,4)16-9)15-8(17)11(12,13)14/h7,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyKHSBEFUAAXINMS-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 885926) is 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1.
What is the InChIKey of 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is KHSBEFUAAXINMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-9(2)5-7(6-10(3,4)16-9)15-8(17)11(12,13)14/h7,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 885926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).