Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-

C11H7F3N2O — CID 148136

IUPAC2,2,2-trifluoro-N-quinolin-8-ylacetamide
SMILESC1=CC2=C(C(=C1)NC(=O)C(F)(F)F)N=CC=C2
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17)
InChIKeyYXWUOVBRRVKKQF-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.20
Rot. Bonds1

About Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-

Acetamide, 2,2,2-trifluoro-N-8-quinolinyl- (PubChem CID 148136) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-quinolin-8-ylacetamide.

Molecular Properties

Compound NameAcetamide, 2,2,2-trifluoro-N-8-quinolinyl-
PubChem CID148136
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2,2,2-trifluoro-N-quinolin-8-ylacetamide
SMILESC1=CC2=C(C(=C1)NC(=O)C(F)(F)F)N=CC=C2
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17)
InChIKeyYXWUOVBRRVKKQF-UHFFFAOYSA-N
XLogP3.20
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity293

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze Acetamide, 2,2,2-trifluoro-N-8-quinolinyl- 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 Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-?
The IUPAC name of Acetamide, 2,2,2-trifluoro-N-8-quinolinyl- (CID 148136) is 2,2,2-trifluoro-N-quinolin-8-ylacetamide.
What is the SMILES notation for Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-?
The canonical SMILES for Acetamide, 2,2,2-trifluoro-N-8-quinolinyl- is C1=CC2=C(C(=C1)NC(=O)C(F)(F)F)N=CC=C2.
What is the InChIKey of Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-?
The InChIKey is YXWUOVBRRVKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-1-3-7-4-2-6-15-9(7)8/h1-6H,(H,16,17).
What are the key properties of Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-?
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl- has a molecular weight of 240.18 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Acetamide, 2,2,2-trifluoro-N-8-quinolinyl- is sourced from PubChem (CID 148136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).