2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate

C6H2BF6N3O2 — CID 82972697

IUPAC2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C6H2F2N3O2.BF4/c7-3-1-4(8)6(11(12)13)2-5(3)10-9;2-1(3,4)5/h1-2H;/q+1;-1
InChIKeyHDRCNMSJNKMMPO-UHFFFAOYSA-N
MW272.90 g/mol
LogP3.66
Rot. Bonds1

About 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate

2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate (PubChem CID 82972697) has the molecular formula C6H2BF6N3O2 and a molecular weight of 272.90 g/mol. Its IUPAC name is 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate.

Molecular Properties

Compound Name2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate
PubChem CID82972697
Molecular FormulaC6H2BF6N3O2
Molecular Weight272.90 g/mol
Exact Mass273.01
IUPAC Name2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate
SMILESF[B-](F)(F)F.N#[N+]c1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C6H2F2N3O2.BF4/c7-3-1-4(8)6(11(12)13)2-5(3)10-9;2-1(3,4)5/h1-2H;/q+1;-1
InChIKeyHDRCNMSJNKMMPO-UHFFFAOYSA-N
XLogP3.66
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.90
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-5-nitrobenzenediazonium
CID 82972698
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-fluoro-3-nitrobenzenediazonium
CID 10901209
4-fluoro-2-nitrobenzenediazonium
CID 10352853
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
3-bromo-4-nitrobenzenediazonium tetrafluoroborate
CID 12714781
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
azanylidyneazanium;1-fluoro-2-nitrobenzene;tetrafluoroborate
CID 88846875
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
1-ethenyl-2,4-difluoro-5-nitrobenzene
CID 15856683
iodo 2,4-difluoro-5-nitrobenzoate
CID 143303840

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate?
The IUPAC name of 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate (CID 82972697) is 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate.
What is the SMILES notation for 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate?
The canonical SMILES for 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate is F[B-](F)(F)F.N#[N+]c1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate?
The InChIKey is HDRCNMSJNKMMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N3O2.BF4/c7-3-1-4(8)6(11(12)13)2-5(3)10-9;2-1(3,4)5/h1-2H;/q+1;-1.
What are the key properties of 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate?
2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate has a molecular weight of 272.90 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate is sourced from PubChem (CID 82972697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).