(4-bromophenyl)-(4-fluorophenyl)diazene

C12H8BrFN2 — CID 71365976

IUPAC(4-bromophenyl)-(4-fluorophenyl)diazene
SMILESFc1ccc(/N=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8BrFN2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+
InChIKeyIQGMFEVJCXXCMI-FOCLMDBBSA-N
MW279.11 g/mol
LogP5.00
Rot. Bonds2

About (4-bromophenyl)-(4-fluorophenyl)diazene

(4-bromophenyl)-(4-fluorophenyl)diazene (PubChem CID 71365976) has the molecular formula C12H8BrFN2 and a molecular weight of 279.11 g/mol. Its IUPAC name is (4-bromophenyl)-(4-fluorophenyl)diazene.

Molecular Properties

Compound Name(4-bromophenyl)-(4-fluorophenyl)diazene
PubChem CID71365976
Molecular FormulaC12H8BrFN2
Molecular Weight279.11 g/mol
Exact Mass277.99
IUPAC Name(4-bromophenyl)-(4-fluorophenyl)diazene
SMILESFc1ccc(/N=N/c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H8BrFN2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+
InChIKeyIQGMFEVJCXXCMI-FOCLMDBBSA-N
XLogP5.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.11
LogP ≤ 55.00
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'}

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-fluorophenyl)diazene?
The IUPAC name of (4-bromophenyl)-(4-fluorophenyl)diazene (CID 71365976) is (4-bromophenyl)-(4-fluorophenyl)diazene.
What is the SMILES notation for (4-bromophenyl)-(4-fluorophenyl)diazene?
The canonical SMILES for (4-bromophenyl)-(4-fluorophenyl)diazene is Fc1ccc(/N=N/c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-fluorophenyl)diazene?
The InChIKey is IQGMFEVJCXXCMI-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H8BrFN2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+.
What are the key properties of (4-bromophenyl)-(4-fluorophenyl)diazene?
(4-bromophenyl)-(4-fluorophenyl)diazene has a molecular weight of 279.11 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-fluorophenyl)diazene is sourced from PubChem (CID 71365976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).