4-fluorobenzenediazonium tetrafluoroborate

C6H4BF5N2 — CID 11790468

IUPAC4-fluorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(F)cc1
InChIInChI=1S/C6H4FN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1
InChIKeyFMZSAFIGGZOVJQ-UHFFFAOYSA-N
MW209.91 g/mol
LogP3.61
Rot. Bonds

About 4-fluorobenzenediazonium tetrafluoroborate

4-fluorobenzenediazonium tetrafluoroborate (PubChem CID 11790468) has the molecular formula C6H4BF5N2 and a molecular weight of 209.91 g/mol. Its IUPAC name is 4-fluorobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name4-fluorobenzenediazonium tetrafluoroborate
PubChem CID11790468
Molecular FormulaC6H4BF5N2
Molecular Weight209.91 g/mol
Exact Mass210.04
IUPAC Name4-fluorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1ccc(F)cc1
InChIInChI=1S/C6H4FN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1
InChIKeyFMZSAFIGGZOVJQ-UHFFFAOYSA-N
XLogP3.61
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.91
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzenediazonium tetrafluoroborate?
The IUPAC name of 4-fluorobenzenediazonium tetrafluoroborate (CID 11790468) is 4-fluorobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 4-fluorobenzenediazonium tetrafluoroborate?
The canonical SMILES for 4-fluorobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzenediazonium tetrafluoroborate?
The InChIKey is FMZSAFIGGZOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN2.BF4/c7-5-1-3-6(9-8)4-2-5;2-1(3,4)5/h1-4H;/q+1;-1.
What are the key properties of 4-fluorobenzenediazonium tetrafluoroborate?
4-fluorobenzenediazonium tetrafluoroborate has a molecular weight of 209.91 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 11790468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).