4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide

C11H20FNO2 — CID 58690119

IUPAC4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide
SMILESCCC(CC(C)C(=O)NCCF)C(C)=O
InChIInChI=1S/C11H20FNO2/c1-4-10(9(3)14)7-8(2)11(15)13-6-5-12/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyHYIYBDYSVLDXHI-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.71
Rot. Bonds7

About 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide

4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide (PubChem CID 58690119) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide.

Molecular Properties

Compound Name4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide
PubChem CID58690119
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide
SMILESCCC(CC(C)C(=O)NCCF)C(C)=O
InChIInChI=1S/C11H20FNO2/c1-4-10(9(3)14)7-8(2)11(15)13-6-5-12/h8,10H,4-7H2,1-3H3,(H,13,15)
InChIKeyHYIYBDYSVLDXHI-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide 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 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide?
The IUPAC name of 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide (CID 58690119) is 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide.
What is the SMILES notation for 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide?
The canonical SMILES for 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide is CCC(CC(C)C(=O)NCCF)C(C)=O.
What is the InChIKey of 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide?
The InChIKey is HYIYBDYSVLDXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-4-10(9(3)14)7-8(2)11(15)13-6-5-12/h8,10H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide?
4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide has a molecular weight of 217.28 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide is sourced from PubChem (CID 58690119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).