2-tert-butyl-6-(trifluoromethyldiazenyl)phenol

C11H13F3N2O — CID 137066159

IUPAC2-tert-butyl-6-(trifluoromethyldiazenyl)phenol
SMILESCC(C)(C)c1cccc(/N=N/C(F)(F)F)c1O
InChIInChI=1S/C11H13F3N2O/c1-10(2,3)7-5-4-6-8(9(7)17)15-16-11(12,13)14/h4-6,17H,1-3H3/b16-15+
InChIKeyXRRQOUJWUIGQBZ-FOCLMDBBSA-N
MW246.23 g/mol
LogP4.29
Rot. Bonds1

About 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol

2-tert-butyl-6-(trifluoromethyldiazenyl)phenol (PubChem CID 137066159) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(trifluoromethyldiazenyl)phenol
PubChem CID137066159
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-tert-butyl-6-(trifluoromethyldiazenyl)phenol
SMILESCC(C)(C)c1cccc(/N=N/C(F)(F)F)c1O
InChIInChI=1S/C11H13F3N2O/c1-10(2,3)7-5-4-6-8(9(7)17)15-16-11(12,13)14/h4-6,17H,1-3H3/b16-15+
InChIKeyXRRQOUJWUIGQBZ-FOCLMDBBSA-N
XLogP4.29
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol 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-tert-butyl-6-[(2-phenylphenyl)diazenyl]phenol
CID 140654343
2-tert-butyl-6-[(2,2,2-trifluoro-1-phenylethylidene)amino]phenol
CID 100965136
2-tert-butyl-6-(2,3-dihydro-1H-inden-4-yldiazenyl)phenol
CID 137098307
2-tert-butyl-6-[[2,3,5,6-tetrafluoro-4-(pentafluoro-λ6-sulfanyl)phenyl]diazenyl]phenol;dichlorotitanium
CID 153465270
CID 102194577
CID 102194577
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-methylphenol;methane
CID 159779150
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
CID 11225844
CID 11225844
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol
CID 173269586

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol?
The IUPAC name of 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol (CID 137066159) is 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol?
The canonical SMILES for 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol is CC(C)(C)c1cccc(/N=N/C(F)(F)F)c1O.
What is the InChIKey of 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol?
The InChIKey is XRRQOUJWUIGQBZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-10(2,3)7-5-4-6-8(9(7)17)15-16-11(12,13)14/h4-6,17H,1-3H3/b16-15+.
What are the key properties of 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol?
2-tert-butyl-6-(trifluoromethyldiazenyl)phenol has a molecular weight of 246.23 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(trifluoromethyldiazenyl)phenol is sourced from PubChem (CID 137066159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).