phenyl-[4-(trifluoromethyl)phenyl]diazene

C13H9F3N2 — CID 11747045

IUPACphenyl-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H9F3N2/c14-13(15,16)10-6-8-12(9-7-10)18-17-11-4-2-1-3-5-11/h1-9H/b18-17+
InChIKeyPWESFWBCEFITQH-ISLYRVAYSA-N
MW250.22 g/mol
LogP5.12
Rot. Bonds2

About phenyl-[4-(trifluoromethyl)phenyl]diazene

phenyl-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 11747045) has the molecular formula C13H9F3N2 and a molecular weight of 250.22 g/mol. Its IUPAC name is phenyl-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-(trifluoromethyl)phenyl]diazene
PubChem CID11747045
Molecular FormulaC13H9F3N2
Molecular Weight250.22 g/mol
Exact Mass250.07
IUPAC Namephenyl-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H9F3N2/c14-13(15,16)10-6-8-12(9-7-10)18-17-11-4-2-1-3-5-11/h1-9H/b18-17+
InChIKeyPWESFWBCEFITQH-ISLYRVAYSA-N
XLogP5.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phenyl-[4-(trifluoromethyl)phenyl]diazene 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 phenyl-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of phenyl-[4-(trifluoromethyl)phenyl]diazene (CID 11747045) is phenyl-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for phenyl-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for phenyl-[4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is PWESFWBCEFITQH-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H9F3N2/c14-13(15,16)10-6-8-12(9-7-10)18-17-11-4-2-1-3-5-11/h1-9H/b18-17+.
What are the key properties of phenyl-[4-(trifluoromethyl)phenyl]diazene?
phenyl-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 250.22 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 11747045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).