N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3NO2 — CID 60778390

IUPACN-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COCC
InChIInChI=1S/C10H18F3NO2/c1-3-5-6-14(8-10(11,12)13)9(15)7-16-4-2/h3-8H2,1-2H3
InChIKeyGLHAZADFNHEKKP-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.21
Rot. Bonds7

About N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60778390) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60778390
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)COCC
InChIInChI=1S/C10H18F3NO2/c1-3-5-6-14(8-10(11,12)13)9(15)7-16-4-2/h3-8H2,1-2H3
InChIKeyGLHAZADFNHEKKP-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-2-ethoxy-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-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide (CID 60778390) is N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)COCC.
What is the InChIKey of N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GLHAZADFNHEKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-5-6-14(8-10(11,12)13)9(15)7-16-4-2/h3-8H2,1-2H3.
What are the key properties of N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 241.25 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethoxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60778390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).