2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

C9H7F3N4O2 — CID 7697159

IUPAC2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESNC(=O)COn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)5-1-2-6-7(3-5)16(15-14-6)18-4-8(13)17/h1-3H,4H2,(H2,13,17)
InChIKeyKREAMKZNKKWDKH-UHFFFAOYSA-N
MW260.18 g/mol
LogP0.36
Rot. Bonds3

About 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide

2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (PubChem CID 7697159) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
PubChem CID7697159
Molecular FormulaC9H7F3N4O2
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Name2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
SMILESNC(=O)COn1nnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)5-1-2-6-7(3-5)16(15-14-6)18-4-8(13)17/h1-3H,4H2,(H2,13,17)
InChIKeyKREAMKZNKKWDKH-UHFFFAOYSA-N
XLogP0.36
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide 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-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The IUPAC name of 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide (CID 7697159) is 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide.
What is the SMILES notation for 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The canonical SMILES for 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is NC(=O)COn1nnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
The InChIKey is KREAMKZNKKWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c10-9(11,12)5-1-2-6-7(3-5)16(15-14-6)18-4-8(13)17/h1-3H,4H2,(H2,13,17).
What are the key properties of 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide?
2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide has a molecular weight of 260.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide is sourced from PubChem (CID 7697159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).