1-azido-4-(18F)fluorobenzene

C6H4FN3 — CID 15186747

IUPAC1-azido-4-(18F)fluorobenzene
SMILES[N-]=[N+]=Nc1ccc([18F])cc1
InChIInChI=1S/C6H4FN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H/i7-1
InChIKeyVHFLTICYUZLEII-JZRMKITLSA-N
MW136.12 g/mol
LogP2.77
Rot. Bonds1

About 1-azido-4-(18F)fluorobenzene

1-azido-4-(18F)fluorobenzene (PubChem CID 15186747) has the molecular formula C6H4FN3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1-azido-4-(18F)fluorobenzene.

Molecular Properties

Compound Name1-azido-4-(18F)fluorobenzene
PubChem CID15186747
Molecular FormulaC6H4FN3
Molecular Weight136.12 g/mol
Exact Mass136.04
IUPAC Name1-azido-4-(18F)fluorobenzene
SMILES[N-]=[N+]=Nc1ccc([18F])cc1
InChIInChI=1S/C6H4FN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H/i7-1
InChIKeyVHFLTICYUZLEII-JZRMKITLSA-N
XLogP2.77
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azido-4-(18F)fluorobenzene?
The IUPAC name of 1-azido-4-(18F)fluorobenzene (CID 15186747) is 1-azido-4-(18F)fluorobenzene.
What is the SMILES notation for 1-azido-4-(18F)fluorobenzene?
The canonical SMILES for 1-azido-4-(18F)fluorobenzene is [N-]=[N+]=Nc1ccc([18F])cc1.
What is the InChIKey of 1-azido-4-(18F)fluorobenzene?
The InChIKey is VHFLTICYUZLEII-JZRMKITLSA-N. The full InChI is InChI=1S/C6H4FN3/c7-5-1-3-6(4-2-5)9-10-8/h1-4H/i7-1.
What are the key properties of 1-azido-4-(18F)fluorobenzene?
1-azido-4-(18F)fluorobenzene has a molecular weight of 136.12 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-(18F)fluorobenzene is sourced from PubChem (CID 15186747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).