2,4,5-trifluorobenzenediazonium bromide

C6H2BrF3N2 — CID 166525830

IUPAC2,4,5-trifluorobenzenediazonium bromide
SMILESN#[N+]c1cc(F)c(F)cc1F.[Br-]
InChIInChI=1S/C6H2F3N2.BrH/c7-3-1-5(9)6(11-10)2-4(3)8;/h1-2H;1H/q+1;/p-1
InChIKeyOTJIMTFSSFGILT-UHFFFAOYSA-M
MW238.99 g/mol
LogP-0.41
Rot. Bonds

About 2,4,5-trifluorobenzenediazonium bromide

2,4,5-trifluorobenzenediazonium bromide (PubChem CID 166525830) has the molecular formula C6H2BrF3N2 and a molecular weight of 238.99 g/mol. Its IUPAC name is 2,4,5-trifluorobenzenediazonium bromide.

Molecular Properties

Compound Name2,4,5-trifluorobenzenediazonium bromide
PubChem CID166525830
Molecular FormulaC6H2BrF3N2
Molecular Weight238.99 g/mol
Exact Mass237.94
IUPAC Name2,4,5-trifluorobenzenediazonium bromide
SMILESN#[N+]c1cc(F)c(F)cc1F.[Br-]
InChIInChI=1S/C6H2F3N2.BrH/c7-3-1-5(9)6(11-10)2-4(3)8;/h1-2H;1H/q+1;/p-1
InChIKeyOTJIMTFSSFGILT-UHFFFAOYSA-M
XLogP-0.41
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.99
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluorobenzenediazonium bromide?
The IUPAC name of 2,4,5-trifluorobenzenediazonium bromide (CID 166525830) is 2,4,5-trifluorobenzenediazonium bromide.
What is the SMILES notation for 2,4,5-trifluorobenzenediazonium bromide?
The canonical SMILES for 2,4,5-trifluorobenzenediazonium bromide is N#[N+]c1cc(F)c(F)cc1F.[Br-].
What is the InChIKey of 2,4,5-trifluorobenzenediazonium bromide?
The InChIKey is OTJIMTFSSFGILT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2F3N2.BrH/c7-3-1-5(9)6(11-10)2-4(3)8;/h1-2H;1H/q+1;/p-1.
What are the key properties of 2,4,5-trifluorobenzenediazonium bromide?
2,4,5-trifluorobenzenediazonium bromide has a molecular weight of 238.99 g/mol, XLogP of -0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluorobenzenediazonium bromide is sourced from PubChem (CID 166525830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).