2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide

C11H20F3NO2 — CID 78861039

IUPAC2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
SMILESCCC(CC)C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-9(4-2)10(16)15-6-5-7-17-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyVOHLNESJDMXRJS-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.51
Rot. Bonds8

About 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide

2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide (PubChem CID 78861039) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
PubChem CID78861039
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide
SMILESCCC(CC)C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-9(4-2)10(16)15-6-5-7-17-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKeyVOHLNESJDMXRJS-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide 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-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide (CID 78861039) is 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide is CCC(CC)C(=O)NCCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
The InChIKey is VOHLNESJDMXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-9(4-2)10(16)15-6-5-7-17-8-11(12,13)14/h9H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide?
2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide has a molecular weight of 255.28 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butanamide is sourced from PubChem (CID 78861039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).