4-bromo-3-(trifluoromethyl)benzenediazonium

C7H3BrF3N2+ — CID 12524395

IUPAC4-bromo-3-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF3N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1
InChIKeyRBYGJVICGKTXKG-UHFFFAOYSA-N
MW252.01 g/mol
LogP3.95
Rot. Bonds

About 4-bromo-3-(trifluoromethyl)benzenediazonium

4-bromo-3-(trifluoromethyl)benzenediazonium (PubChem CID 12524395) has the molecular formula C7H3BrF3N2+ and a molecular weight of 252.01 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)benzenediazonium.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethyl)benzenediazonium
PubChem CID12524395
Molecular FormulaC7H3BrF3N2+
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name4-bromo-3-(trifluoromethyl)benzenediazonium
SMILESN#[N+]c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C7H3BrF3N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1
InChIKeyRBYGJVICGKTXKG-UHFFFAOYSA-N
XLogP3.95
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)benzenediazonium?
The IUPAC name of 4-bromo-3-(trifluoromethyl)benzenediazonium (CID 12524395) is 4-bromo-3-(trifluoromethyl)benzenediazonium.
What is the SMILES notation for 4-bromo-3-(trifluoromethyl)benzenediazonium?
The canonical SMILES for 4-bromo-3-(trifluoromethyl)benzenediazonium is N#[N+]c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-(trifluoromethyl)benzenediazonium?
The InChIKey is RBYGJVICGKTXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3H/q+1.
What are the key properties of 4-bromo-3-(trifluoromethyl)benzenediazonium?
4-bromo-3-(trifluoromethyl)benzenediazonium has a molecular weight of 252.01 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(trifluoromethyl)benzenediazonium is sourced from PubChem (CID 12524395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).