N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide

C8H5F3N4O — CID 11401950

IUPACN-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)C(F)(F)F
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7(16)12-4-1-2-5-6(3-4)14-15-13-5/h1-3H,(H,12,16)(H,13,14,15)
InChIKeyYDRBYRDAOQDMAL-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.46
Rot. Bonds1

About N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide

N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 11401950) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide
PubChem CID11401950
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC NameN-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)C(F)(F)F
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7(16)12-4-1-2-5-6(3-4)14-15-13-5/h1-3H,(H,12,16)(H,13,14,15)
InChIKeyYDRBYRDAOQDMAL-UHFFFAOYSA-N
XLogP1.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide 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-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide (CID 11401950) is N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc2n[nH]nc2c1)C(F)(F)F.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is YDRBYRDAOQDMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)7(16)12-4-1-2-5-6(3-4)14-15-13-5/h1-3H,(H,12,16)(H,13,14,15).
What are the key properties of N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide?
N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 230.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11401950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).