3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide

C13H22F3NO2 — CID 145466593

IUPAC3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
SMILESCC(C)(C)C(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H22F3NO2/c1-11(2,3)9(10(19)12(4,5)6)17-8(18)7-13(14,15)16/h9H,7H2,1-6H3,(H,17,18)
InChIKeyKGVKIUOGORMBDS-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.08
Rot. Bonds3

About 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide

3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide (PubChem CID 145466593) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
PubChem CID145466593
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide
SMILESCC(C)(C)C(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H22F3NO2/c1-11(2,3)9(10(19)12(4,5)6)17-8(18)7-13(14,15)16/h9H,7H2,1-6H3,(H,17,18)
InChIKeyKGVKIUOGORMBDS-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide 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 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide (CID 145466593) is 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide is CC(C)(C)C(=O)C(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
The InChIKey is KGVKIUOGORMBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-11(2,3)9(10(19)12(4,5)6)17-8(18)7-13(14,15)16/h9H,7H2,1-6H3,(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide?
3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)propanamide is sourced from PubChem (CID 145466593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).