(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene

C13H8BrF3N2 — CID 86246481

IUPAC(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C13H8BrF3N2/c14-10-2-1-3-12(8-10)19-18-11-6-4-9(5-7-11)13(15,16)17/h1-8H/b19-18+
InChIKeySRANBPGIOXBKCO-VHEBQXMUSA-N
MW329.12 g/mol
LogP5.88
Rot. Bonds2

About (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene

(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 86246481) has the molecular formula C13H8BrF3N2 and a molecular weight of 329.12 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
PubChem CID86246481
Molecular FormulaC13H8BrF3N2
Molecular Weight329.12 g/mol
Exact Mass327.98
IUPAC Name(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene
SMILESFC(F)(F)c1ccc(/N=N/c2cccc(Br)c2)cc1
InChIInChI=1S/C13H8BrF3N2/c14-10-2-1-3-12(8-10)19-18-11-6-4-9(5-7-11)13(15,16)17/h1-8H/b19-18+
InChIKeySRANBPGIOXBKCO-VHEBQXMUSA-N
XLogP5.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.12
LogP ≤ 55.88
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 (3-bromophenyl)-[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 (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene (CID 86246481) is (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene is FC(F)(F)c1ccc(/N=N/c2cccc(Br)c2)cc1.
What is the InChIKey of (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is SRANBPGIOXBKCO-VHEBQXMUSA-N. The full InChI is InChI=1S/C13H8BrF3N2/c14-10-2-1-3-12(8-10)19-18-11-6-4-9(5-7-11)13(15,16)17/h1-8H/b19-18+.
What are the key properties of (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene?
(3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 329.12 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 86246481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).