2,4-difluoro-5-nitrobenzenediazonium

C6H2F2N3O2+ — CID 82972698

IUPAC2,4-difluoro-5-nitrobenzenediazonium
SMILESN#[N+]c1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C6H2F2N3O2/c7-3-1-4(8)6(11(12)13)2-5(3)10-9/h1-2H/q+1
InChIKeyZCKNRXAAUAHPED-UHFFFAOYSA-N
MW186.10 g/mol
LogP2.36
Rot. Bonds1

About 2,4-difluoro-5-nitrobenzenediazonium

2,4-difluoro-5-nitrobenzenediazonium (PubChem CID 82972698) has the molecular formula C6H2F2N3O2+ and a molecular weight of 186.10 g/mol. Its IUPAC name is 2,4-difluoro-5-nitrobenzenediazonium.

Molecular Properties

Compound Name2,4-difluoro-5-nitrobenzenediazonium
PubChem CID82972698
Molecular FormulaC6H2F2N3O2+
Molecular Weight186.10 g/mol
Exact Mass186.01
IUPAC Name2,4-difluoro-5-nitrobenzenediazonium
SMILESN#[N+]c1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C6H2F2N3O2/c7-3-1-4(8)6(11(12)13)2-5(3)10-9/h1-2H/q+1
InChIKeyZCKNRXAAUAHPED-UHFFFAOYSA-N
XLogP2.36
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', '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 tetrafluoroborate
CID 82972697
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
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
1-ethenyl-2,4-difluoro-5-nitrobenzene
CID 15856683
1,5-difluoro-2-methylsulfonyl-4-nitrobenzene
CID 152640256
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
4-fluoro-5-nitro-2-(trifluoromethyl)aniline
CID 131316760

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-nitrobenzenediazonium?
The IUPAC name of 2,4-difluoro-5-nitrobenzenediazonium (CID 82972698) is 2,4-difluoro-5-nitrobenzenediazonium.
What is the SMILES notation for 2,4-difluoro-5-nitrobenzenediazonium?
The canonical SMILES for 2,4-difluoro-5-nitrobenzenediazonium is N#[N+]c1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-nitrobenzenediazonium?
The InChIKey is ZCKNRXAAUAHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N3O2/c7-3-1-4(8)6(11(12)13)2-5(3)10-9/h1-2H/q+1.
What are the key properties of 2,4-difluoro-5-nitrobenzenediazonium?
2,4-difluoro-5-nitrobenzenediazonium has a molecular weight of 186.10 g/mol, XLogP of 2.36, 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 is sourced from PubChem (CID 82972698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).