2-chloro-3-fluorobenzenediazonium tetrafluoroborate

C6H3BClF5N2 — CID 87707531

IUPAC2-chloro-3-fluorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cccc(F)c1Cl
InChIInChI=1S/C6H3ClFN2.BF4/c7-6-4(8)2-1-3-5(6)10-9;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyUQETYOVVYVCKSN-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.26
Rot. Bonds

About 2-chloro-3-fluorobenzenediazonium tetrafluoroborate

2-chloro-3-fluorobenzenediazonium tetrafluoroborate (PubChem CID 87707531) has the molecular formula C6H3BClF5N2 and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-chloro-3-fluorobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2-chloro-3-fluorobenzenediazonium tetrafluoroborate
PubChem CID87707531
Molecular FormulaC6H3BClF5N2
Molecular Weight244.36 g/mol
Exact Mass244.00
IUPAC Name2-chloro-3-fluorobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cccc(F)c1Cl
InChIInChI=1S/C6H3ClFN2.BF4/c7-6-4(8)2-1-3-5(6)10-9;2-1(3,4)5/h1-3H;/q+1;-1
InChIKeyUQETYOVVYVCKSN-UHFFFAOYSA-N
XLogP4.26
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.26
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 2-chloro-3-fluorobenzenediazonium tetrafluoroborate?
The IUPAC name of 2-chloro-3-fluorobenzenediazonium tetrafluoroborate (CID 87707531) is 2-chloro-3-fluorobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2-chloro-3-fluorobenzenediazonium tetrafluoroborate?
The canonical SMILES for 2-chloro-3-fluorobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluorobenzenediazonium tetrafluoroborate?
The InChIKey is UQETYOVVYVCKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFN2.BF4/c7-6-4(8)2-1-3-5(6)10-9;2-1(3,4)5/h1-3H;/q+1;-1.
What are the key properties of 2-chloro-3-fluorobenzenediazonium tetrafluoroborate?
2-chloro-3-fluorobenzenediazonium tetrafluoroborate has a molecular weight of 244.36 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluorobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 87707531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).