2-fluoro-5-phenyldiazenylphenol

C12H9FN2O — CID 175493253

IUPAC2-fluoro-5-phenyldiazenylphenol
SMILESOc1cc(/N=N/c2ccccc2)ccc1F
InChIInChI=1S/C12H9FN2O/c13-11-7-6-10(8-12(11)16)15-14-9-4-2-1-3-5-9/h1-8,16H/b15-14+
InChIKeyJMKQPDVRSFHIOZ-CCEZHUSRSA-N
MW216.22 g/mol
LogP3.95
Rot. Bonds2

About 2-fluoro-5-phenyldiazenylphenol

2-fluoro-5-phenyldiazenylphenol (PubChem CID 175493253) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-fluoro-5-phenyldiazenylphenol.

Molecular Properties

Compound Name2-fluoro-5-phenyldiazenylphenol
PubChem CID175493253
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name2-fluoro-5-phenyldiazenylphenol
SMILESOc1cc(/N=N/c2ccccc2)ccc1F
InChIInChI=1S/C12H9FN2O/c13-11-7-6-10(8-12(11)16)15-14-9-4-2-1-3-5-9/h1-8,16H/b15-14+
InChIKeyJMKQPDVRSFHIOZ-CCEZHUSRSA-N
XLogP3.95
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.95
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-phenyldiazenylphenol?
The IUPAC name of 2-fluoro-5-phenyldiazenylphenol (CID 175493253) is 2-fluoro-5-phenyldiazenylphenol.
What is the SMILES notation for 2-fluoro-5-phenyldiazenylphenol?
The canonical SMILES for 2-fluoro-5-phenyldiazenylphenol is Oc1cc(/N=N/c2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-5-phenyldiazenylphenol?
The InChIKey is JMKQPDVRSFHIOZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-11-7-6-10(8-12(11)16)15-14-9-4-2-1-3-5-9/h1-8,16H/b15-14+.
What are the key properties of 2-fluoro-5-phenyldiazenylphenol?
2-fluoro-5-phenyldiazenylphenol has a molecular weight of 216.22 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenyldiazenylphenol is sourced from PubChem (CID 175493253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).