2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide

C9H5F6N3O2 — CID 1358130

IUPAC2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H5F6N3O2/c10-8(11,12)6(19)17-4-2-1-3-5(16-4)18-7(20)9(13,14)15/h1-3H,(H2,16,17,18,19,20)
InChIKeyVUNQMWACJYUHLE-UHFFFAOYSA-N
MW301.15 g/mol
LogP2.08
Rot. Bonds2

About 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide

2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide (PubChem CID 1358130) has the molecular formula C9H5F6N3O2 and a molecular weight of 301.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide
PubChem CID1358130
Molecular FormulaC9H5F6N3O2
Molecular Weight301.15 g/mol
Exact Mass301.03
IUPAC Name2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)F)n1)C(F)(F)F
InChIInChI=1S/C9H5F6N3O2/c10-8(11,12)6(19)17-4-2-1-3-5(16-4)18-7(20)9(13,14)15/h1-3H,(H2,16,17,18,19,20)
InChIKeyVUNQMWACJYUHLE-UHFFFAOYSA-N
XLogP2.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]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 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide (CID 1358130) is 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide is O=C(Nc1cccc(NC(=O)C(F)(F)F)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide?
The InChIKey is VUNQMWACJYUHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6N3O2/c10-8(11,12)6(19)17-4-2-1-3-5(16-4)18-7(20)9(13,14)15/h1-3H,(H2,16,17,18,19,20).
What are the key properties of 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide?
2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide has a molecular weight of 301.15 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[(2,2,2-trifluoroacetyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 1358130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).