3-fluorobenzoyl azide

C7H4FN3O — CID 12613734

IUPAC3-fluorobenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1cccc(F)c1
InChIInChI=1S/C7H4FN3O/c8-6-3-1-2-5(4-6)7(12)10-11-9/h1-4H
InChIKeyYGWXYOUSJJIUIV-UHFFFAOYSA-N
MW165.13 g/mol
LogP2.28
Rot. Bonds1

About 3-fluorobenzoyl azide

3-fluorobenzoyl azide (PubChem CID 12613734) has the molecular formula C7H4FN3O and a molecular weight of 165.13 g/mol. Its IUPAC name is 3-fluorobenzoyl azide.

Molecular Properties

Compound Name3-fluorobenzoyl azide
PubChem CID12613734
Molecular FormulaC7H4FN3O
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name3-fluorobenzoyl azide
SMILES[N-]=[N+]=NC(=O)c1cccc(F)c1
InChIInChI=1S/C7H4FN3O/c8-6-3-1-2-5(4-6)7(12)10-11-9/h1-4H
InChIKeyYGWXYOUSJJIUIV-UHFFFAOYSA-N
XLogP2.28
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 52.28
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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Related Compounds

3-fluorobenzoyl isocyanate
CID 18071322
bismuth tris(3-fluorobenzoate)
CID 132504465
3-fluorobenzoyl bromide
CID 20822510
2,3-difluorobenzoyl azide
CID 62661740
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
2-fluoro-6-methoxybenzoyl azide
CID 65433072
3-[(E)-3-amino-1-(3-chlorophenyl)prop-1-enyl]benzoyl azide
CID 143150747
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
3-fluoro-N-hydroxybenzamide
CID 5082377
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
3-bromo-4-methylbenzoyl azide
CID 81472134
(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114962696

Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzoyl azide?
The IUPAC name of 3-fluorobenzoyl azide (CID 12613734) is 3-fluorobenzoyl azide.
What is the SMILES notation for 3-fluorobenzoyl azide?
The canonical SMILES for 3-fluorobenzoyl azide is [N-]=[N+]=NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluorobenzoyl azide?
The InChIKey is YGWXYOUSJJIUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3O/c8-6-3-1-2-5(4-6)7(12)10-11-9/h1-4H.
What are the key properties of 3-fluorobenzoyl azide?
3-fluorobenzoyl azide has a molecular weight of 165.13 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzoyl azide is sourced from PubChem (CID 12613734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).