3-fluorobenzenediazonium hydroxide

C6H5FN2O — CID 10057577

IUPAC3-fluorobenzenediazonium hydroxide
SMILESN#[N+]c1cccc(F)c1.[OH-]
InChIInChI=1S/C6H4FN2.H2O/c7-5-2-1-3-6(4-5)9-8;/h1-4H;1H2/q+1;/p-1
InChIKeyHNLDBQQHXIYAKN-UHFFFAOYSA-M
MW140.12 g/mol
LogP2.13
Rot. Bonds

About 3-fluorobenzenediazonium hydroxide

3-fluorobenzenediazonium hydroxide (PubChem CID 10057577) has the molecular formula C6H5FN2O and a molecular weight of 140.12 g/mol. Its IUPAC name is 3-fluorobenzenediazonium hydroxide.

Molecular Properties

Compound Name3-fluorobenzenediazonium hydroxide
PubChem CID10057577
Molecular FormulaC6H5FN2O
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name3-fluorobenzenediazonium hydroxide
SMILESN#[N+]c1cccc(F)c1.[OH-]
InChIInChI=1S/C6H4FN2.H2O/c7-5-2-1-3-6(4-5)9-8;/h1-4H;1H2/q+1;/p-1
InChIKeyHNLDBQQHXIYAKN-UHFFFAOYSA-M
XLogP2.13
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzenediazonium hydroxide?
The IUPAC name of 3-fluorobenzenediazonium hydroxide (CID 10057577) is 3-fluorobenzenediazonium hydroxide.
What is the SMILES notation for 3-fluorobenzenediazonium hydroxide?
The canonical SMILES for 3-fluorobenzenediazonium hydroxide is N#[N+]c1cccc(F)c1.[OH-].
What is the InChIKey of 3-fluorobenzenediazonium hydroxide?
The InChIKey is HNLDBQQHXIYAKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4FN2.H2O/c7-5-2-1-3-6(4-5)9-8;/h1-4H;1H2/q+1;/p-1.
What are the key properties of 3-fluorobenzenediazonium hydroxide?
3-fluorobenzenediazonium hydroxide has a molecular weight of 140.12 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzenediazonium hydroxide is sourced from PubChem (CID 10057577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).