2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide

C17H32F3NO — CID 89340499

IUPAC2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide
SMILESCCCC(C)(CCC)CC(C)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-7-9-16(6,10-8-2)12-13(3)11-15(4,5)21-14(22)17(18,19)20/h13H,7-12H2,1-6H3,(H,21,22)
InChIKeyKWILHIQULZCPPC-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.47
Rot. Bonds9

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

2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide (PubChem CID 89340499) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide
PubChem CID89340499
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC Name2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide
SMILESCCCC(C)(CCC)CC(C)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-7-9-16(6,10-8-2)12-13(3)11-15(4,5)21-14(22)17(18,19)20/h13H,7-12H2,1-6H3,(H,21,22)
InChIKeyKWILHIQULZCPPC-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide 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 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide (CID 89340499) is 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide is CCCC(C)(CCC)CC(C)CC(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide?
The InChIKey is KWILHIQULZCPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3NO/c1-7-9-16(6,10-8-2)12-13(3)11-15(4,5)21-14(22)17(18,19)20/h13H,7-12H2,1-6H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide?
2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2,4,6-trimethyl-6-propylnonan-2-yl)acetamide is sourced from PubChem (CID 89340499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).