N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NO3 — CID 103915404

IUPACN-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCOCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-5-16-6-8(15)13(3-4-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyFTQBGABKVUEWLD-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.80
Rot. Bonds7

About N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915404) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915404
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCOCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-2-5-16-6-8(15)13(3-4-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeyFTQBGABKVUEWLD-UHFFFAOYSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)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-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide (CID 103915404) is N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide is CCCOCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FTQBGABKVUEWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-2-5-16-6-8(15)13(3-4-14)7-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 243.22 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-propoxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).