2,2,2-trifluoro-N-quinolin-3-ylacetamide

C11H7F3N2O — CID 62491263

IUPAC2,2,2-trifluoro-N-quinolin-3-ylacetamide
SMILESO=C(Nc1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H,(H,16,17)
InChIKeyVTLDQNBRKSUBBX-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.74
Rot. Bonds1

About 2,2,2-trifluoro-N-quinolin-3-ylacetamide

2,2,2-trifluoro-N-quinolin-3-ylacetamide (PubChem CID 62491263) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-quinolin-3-ylacetamide
PubChem CID62491263
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2,2,2-trifluoro-N-quinolin-3-ylacetamide
SMILESO=C(Nc1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H,(H,16,17)
InChIKeyVTLDQNBRKSUBBX-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-quinolin-3-ylacetamide 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 2,2,2-trifluoro-N-quinolin-3-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-quinolin-3-ylacetamide (CID 62491263) is 2,2,2-trifluoro-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-quinolin-3-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-quinolin-3-ylacetamide is O=C(Nc1cnc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-quinolin-3-ylacetamide?
The InChIKey is VTLDQNBRKSUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)10(17)16-8-5-7-3-1-2-4-9(7)15-6-8/h1-6H,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-quinolin-3-ylacetamide?
2,2,2-trifluoro-N-quinolin-3-ylacetamide has a molecular weight of 240.18 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-quinolin-3-ylacetamide is sourced from PubChem (CID 62491263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).