N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H20F3NO3 — CID 103725737

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCC(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-2-3-9(4-5-16)6-15-10(17)7-18-8-11(12,13)14/h9,16H,2-8H2,1H3,(H,15,17)
InChIKeyKWXODHZEWLHRFX-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.48
Rot. Bonds9

About N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103725737) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103725737
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCC(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H20F3NO3/c1-2-3-9(4-5-16)6-15-10(17)7-18-8-11(12,13)14/h9,16H,2-8H2,1H3,(H,15,17)
InChIKeyKWXODHZEWLHRFX-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)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 N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103725737) is N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCCC(CCO)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is KWXODHZEWLHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-2-3-9(4-5-16)6-15-10(17)7-18-8-11(12,13)14/h9,16H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103725737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).