4-(2-fluoroethynyl)benzenediazonium

C8H4FN2+ — CID 71424740

IUPAC4-(2-fluoroethynyl)benzenediazonium
SMILESN#[N+]c1ccc(C#CF)cc1
InChIInChI=1S/C8H4FN2/c9-6-5-7-1-3-8(11-10)4-2-7/h1-4H/q+1
InChIKeyBPFPEDOCEQBNIY-UHFFFAOYSA-N
MW147.13 g/mol
LogP2.45
Rot. Bonds

About 4-(2-fluoroethynyl)benzenediazonium

4-(2-fluoroethynyl)benzenediazonium (PubChem CID 71424740) has the molecular formula C8H4FN2+ and a molecular weight of 147.13 g/mol. Its IUPAC name is 4-(2-fluoroethynyl)benzenediazonium.

Molecular Properties

Compound Name4-(2-fluoroethynyl)benzenediazonium
PubChem CID71424740
Molecular FormulaC8H4FN2+
Molecular Weight147.13 g/mol
Exact Mass147.04
IUPAC Name4-(2-fluoroethynyl)benzenediazonium
SMILESN#[N+]c1ccc(C#CF)cc1
InChIInChI=1S/C8H4FN2/c9-6-5-7-1-3-8(11-10)4-2-7/h1-4H/q+1
InChIKeyBPFPEDOCEQBNIY-UHFFFAOYSA-N
XLogP2.45
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethynyl)benzenediazonium?
The IUPAC name of 4-(2-fluoroethynyl)benzenediazonium (CID 71424740) is 4-(2-fluoroethynyl)benzenediazonium.
What is the SMILES notation for 4-(2-fluoroethynyl)benzenediazonium?
The canonical SMILES for 4-(2-fluoroethynyl)benzenediazonium is N#[N+]c1ccc(C#CF)cc1.
What is the InChIKey of 4-(2-fluoroethynyl)benzenediazonium?
The InChIKey is BPFPEDOCEQBNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN2/c9-6-5-7-1-3-8(11-10)4-2-7/h1-4H/q+1.
What are the key properties of 4-(2-fluoroethynyl)benzenediazonium?
4-(2-fluoroethynyl)benzenediazonium has a molecular weight of 147.13 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethynyl)benzenediazonium is sourced from PubChem (CID 71424740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).