3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide

C12H20F3NO2 — CID 130457445

IUPAC3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC(C)C(=O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H20F3NO2/c1-5-6-9(4)10(17)11(18)16(8(2)3)7-12(13,14)15/h8-9H,5-7H2,1-4H3
InChIKeyXFRHFPFQYWXLOG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.79
Rot. Bonds6

About 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide

3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 130457445) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID130457445
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCC(C)C(=O)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H20F3NO2/c1-5-6-9(4)10(17)11(18)16(8(2)3)7-12(13,14)15/h8-9H,5-7H2,1-4H3
InChIKeyXFRHFPFQYWXLOG-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide 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-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide (CID 130457445) is 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide is CCCC(C)C(=O)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is XFRHFPFQYWXLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-5-6-9(4)10(17)11(18)16(8(2)3)7-12(13,14)15/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide?
3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 267.29 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 130457445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).