(3-bromo-5-fluorophenyl)-propyldiazene

C9H10BrFN2 — CID 91568289

IUPAC(3-bromo-5-fluorophenyl)-propyldiazene
SMILESCCC/N=N/c1cc(F)cc(Br)c1
InChIInChI=1S/C9H10BrFN2/c1-2-3-12-13-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3/b13-12+
InChIKeyHZJWFSZFMZJHLS-OUKQBFOZSA-N
MW245.09 g/mol
LogP4.08
Rot. Bonds3

About (3-bromo-5-fluorophenyl)-propyldiazene

(3-bromo-5-fluorophenyl)-propyldiazene (PubChem CID 91568289) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-propyldiazene.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-propyldiazene
PubChem CID91568289
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name(3-bromo-5-fluorophenyl)-propyldiazene
SMILESCCC/N=N/c1cc(F)cc(Br)c1
InChIInChI=1S/C9H10BrFN2/c1-2-3-12-13-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3/b13-12+
InChIKeyHZJWFSZFMZJHLS-OUKQBFOZSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 54.08
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 (3-bromo-5-fluorophenyl)-propyldiazene?
The IUPAC name of (3-bromo-5-fluorophenyl)-propyldiazene (CID 91568289) is (3-bromo-5-fluorophenyl)-propyldiazene.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-propyldiazene?
The canonical SMILES for (3-bromo-5-fluorophenyl)-propyldiazene is CCC/N=N/c1cc(F)cc(Br)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-propyldiazene?
The InChIKey is HZJWFSZFMZJHLS-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H10BrFN2/c1-2-3-12-13-9-5-7(10)4-8(11)6-9/h4-6H,2-3H2,1H3/b13-12+.
What are the key properties of (3-bromo-5-fluorophenyl)-propyldiazene?
(3-bromo-5-fluorophenyl)-propyldiazene has a molecular weight of 245.09 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-propyldiazene is sourced from PubChem (CID 91568289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).