2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one

C11H18F3NO — CID 58995014

IUPAC2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-9(2)5-8(16)6-10(3,4)15(9)7-11(12,13)14/h5-7H2,1-4H3
InChIKeyZGRLZGRBXYMQKO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.77
Rot. Bonds1

About 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one

2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one (PubChem CID 58995014) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one
PubChem CID58995014
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-9(2)5-8(16)6-10(3,4)15(9)7-11(12,13)14/h5-7H2,1-4H3
InChIKeyZGRLZGRBXYMQKO-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
The IUPAC name of 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one (CID 58995014) is 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1CC(F)(F)F.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
The InChIKey is ZGRLZGRBXYMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-9(2)5-8(16)6-10(3,4)15(9)7-11(12,13)14/h5-7H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one?
2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-one is sourced from PubChem (CID 58995014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).