4-fluoro-2-nitrobenzenediazonium

C6H3FN3O2+ — CID 10352853

IUPAC4-fluoro-2-nitrobenzenediazonium
SMILESN#[N+]c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3FN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3H/q+1
InChIKeyDJQSLINEQKOXGV-UHFFFAOYSA-N
MW168.11 g/mol
LogP2.22
Rot. Bonds1

About 4-fluoro-2-nitrobenzenediazonium

4-fluoro-2-nitrobenzenediazonium (PubChem CID 10352853) has the molecular formula C6H3FN3O2+ and a molecular weight of 168.11 g/mol. Its IUPAC name is 4-fluoro-2-nitrobenzenediazonium.

Molecular Properties

Compound Name4-fluoro-2-nitrobenzenediazonium
PubChem CID10352853
Molecular FormulaC6H3FN3O2+
Molecular Weight168.11 g/mol
Exact Mass168.02
IUPAC Name4-fluoro-2-nitrobenzenediazonium
SMILESN#[N+]c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3FN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3H/q+1
InChIKeyDJQSLINEQKOXGV-UHFFFAOYSA-N
XLogP2.22
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 52.22
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
CID 82972698
4-fluoro-1-[(4-fluoro-2-nitrophenyl)disulfanyl]-2-nitrobenzene
CID 13238249
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
2,4-difluoro-5-nitrobenzenediazonium tetrafluoroborate
CID 82972697
(1S)-3-fluoro-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 171225652
(4-fluoro-2-nitrophenyl) selenocyanate
CID 140870766
4-fluoro-3-nitrobenzenediazonium
CID 10901209
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
(4-fluoro-2-nitrophenyl)urea
CID 69476086
sodium 4-fluoro-2-nitrobenzenesulfinate
CID 114287111
4-fluoro-2-nitrobenzenecarboximidamide
CID 53404311

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitrobenzenediazonium?
The IUPAC name of 4-fluoro-2-nitrobenzenediazonium (CID 10352853) is 4-fluoro-2-nitrobenzenediazonium.
What is the SMILES notation for 4-fluoro-2-nitrobenzenediazonium?
The canonical SMILES for 4-fluoro-2-nitrobenzenediazonium is N#[N+]c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-nitrobenzenediazonium?
The InChIKey is DJQSLINEQKOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN3O2/c7-4-1-2-5(9-8)6(3-4)10(11)12/h1-3H/q+1.
What are the key properties of 4-fluoro-2-nitrobenzenediazonium?
4-fluoro-2-nitrobenzenediazonium has a molecular weight of 168.11 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitrobenzenediazonium is sourced from PubChem (CID 10352853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).