1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone

C21H15F3N2O — CID 91209141

IUPAC1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone
SMILESO=C(c1ccccc1)C(/N=N/c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)17-13-7-8-14-18(17)25-26-19(15-9-3-1-4-10-15)20(27)16-11-5-2-6-12-16/h1-14,19H/b26-25+
InChIKeyLJBUUWJAFOMGMP-OCEACIFDSA-N
MW368.36 g/mol
LogP6.41
Rot. Bonds5

About 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone

1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone (PubChem CID 91209141) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone.

Molecular Properties

Compound Name1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone
PubChem CID91209141
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone
SMILESO=C(c1ccccc1)C(/N=N/c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)17-13-7-8-14-18(17)25-26-19(15-9-3-1-4-10-15)20(27)16-11-5-2-6-12-16/h1-14,19H/b26-25+
InChIKeyLJBUUWJAFOMGMP-OCEACIFDSA-N
XLogP6.41
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873
3-amino-2,2-difluoro-4-oxo-4-phenylbutanoic acid
CID 68606166
2-hydroxy-1,2-diphenylethanone
CID 159399559
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 118246686
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
1-isocyanato-2-(trifluoromethyl)benzene
CID 16794
potassium 2-(trifluoromethyl)benzoate
CID 162538888
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
dimethyl (Z)-3-hydroxy-2-[[2-(trifluoromethyl)phenyl]diazenyl]pent-2-enedioate
CID 135478111
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
benzoic acid;diphenylmethanamine
CID 3075109

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone?
The IUPAC name of 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone (CID 91209141) is 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone.
What is the SMILES notation for 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone?
The canonical SMILES for 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone is O=C(c1ccccc1)C(/N=N/c1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone?
The InChIKey is LJBUUWJAFOMGMP-OCEACIFDSA-N. The full InChI is InChI=1S/C21H15F3N2O/c22-21(23,24)17-13-7-8-14-18(17)25-26-19(15-9-3-1-4-10-15)20(27)16-11-5-2-6-12-16/h1-14,19H/b26-25+.
What are the key properties of 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone?
1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone has a molecular weight of 368.36 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-[[2-(trifluoromethyl)phenyl]diazenyl]ethanone is sourced from PubChem (CID 91209141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).