2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol

C13H9F3N2O2 — CID 136634508

IUPAC2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol
SMILESOc1ccccc1/N=N/c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-12-8-4-2-6-10(12)18-17-9-5-1-3-7-11(9)19/h1-8,19H/b18-17+
InChIKeyLBKKFCMHVQWOGI-ISLYRVAYSA-N
MW282.22 g/mol
LogP4.71
Rot. Bonds3

About 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol

2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol (PubChem CID 136634508) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol
PubChem CID136634508
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol
SMILESOc1ccccc1/N=N/c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)20-12-8-4-2-6-10(12)18-17-9-5-1-3-7-11(9)19/h1-8,19H/b18-17+
InChIKeyLBKKFCMHVQWOGI-ISLYRVAYSA-N
XLogP4.71
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 63173340
1-isocyanato-2-(trifluoromethoxy)benzene
CID 608953
2-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
2-[4-(trifluoromethoxy)phenoxy]phenol
CID 19755907
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
dichloromethane;1-isocyanato-2-(trifluoromethoxy)benzene
CID 158893316
methane;[2-(trifluoromethoxy)phenyl]boronic acid
CID 158262052
2-(trifluoromethoxy)benzoate
CID 6933714
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
2-(trifluoromethoxy)benzenethiolate
CID 6933712

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol?
The IUPAC name of 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol (CID 136634508) is 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol.
What is the SMILES notation for 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol?
The canonical SMILES for 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol is Oc1ccccc1/N=N/c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol?
The InChIKey is LBKKFCMHVQWOGI-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)20-12-8-4-2-6-10(12)18-17-9-5-1-3-7-11(9)19/h1-8,19H/b18-17+.
What are the key properties of 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol?
2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol has a molecular weight of 282.22 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol is sourced from PubChem (CID 136634508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).