7-fluoro-1-benzofuran-3-carbonyl azide

C9H4FN3O2 — CID 23599396

IUPAC7-fluoro-1-benzofuran-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1coc2c(F)cccc12
InChIInChI=1S/C9H4FN3O2/c10-7-3-1-2-5-6(4-15-8(5)7)9(14)12-13-11/h1-4H
InChIKeyXHZWHMAOXJKDAP-UHFFFAOYSA-N
MW205.15 g/mol
LogP3.02
Rot. Bonds1

About 7-fluoro-1-benzofuran-3-carbonyl azide

7-fluoro-1-benzofuran-3-carbonyl azide (PubChem CID 23599396) has the molecular formula C9H4FN3O2 and a molecular weight of 205.15 g/mol. Its IUPAC name is 7-fluoro-1-benzofuran-3-carbonyl azide.

Molecular Properties

Compound Name7-fluoro-1-benzofuran-3-carbonyl azide
PubChem CID23599396
Molecular FormulaC9H4FN3O2
Molecular Weight205.15 g/mol
Exact Mass205.03
IUPAC Name7-fluoro-1-benzofuran-3-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1coc2c(F)cccc12
InChIInChI=1S/C9H4FN3O2/c10-7-3-1-2-5-6(4-15-8(5)7)9(14)12-13-11/h1-4H
InChIKeyXHZWHMAOXJKDAP-UHFFFAOYSA-N
XLogP3.02
TPSA78.97 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

CID 68890208
CID 68890208
2,3-difluorobenzoyl azide
CID 62661740
2-fluoro-6-methoxybenzoyl azide
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2,3,4,5-tetrafluorobenzoyl azide
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2-(7-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117123001
3-fluorobenzoyl azide
CID 12613734
(2-carbonazidoylphenyl) 4-fluorobenzoate
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N-[(1S)-1-(7-fluoro-1-benzofuran-3-yl)ethyl]prop-2-enamide
CID 167868523
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
6-fluoro-1H-indole-3-carbonyl azide
CID 150051952
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CID 149163106

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-benzofuran-3-carbonyl azide?
The IUPAC name of 7-fluoro-1-benzofuran-3-carbonyl azide (CID 23599396) is 7-fluoro-1-benzofuran-3-carbonyl azide.
What is the SMILES notation for 7-fluoro-1-benzofuran-3-carbonyl azide?
The canonical SMILES for 7-fluoro-1-benzofuran-3-carbonyl azide is [N-]=[N+]=NC(=O)c1coc2c(F)cccc12.
What is the InChIKey of 7-fluoro-1-benzofuran-3-carbonyl azide?
The InChIKey is XHZWHMAOXJKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FN3O2/c10-7-3-1-2-5-6(4-15-8(5)7)9(14)12-13-11/h1-4H.
What are the key properties of 7-fluoro-1-benzofuran-3-carbonyl azide?
7-fluoro-1-benzofuran-3-carbonyl azide has a molecular weight of 205.15 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-benzofuran-3-carbonyl azide is sourced from PubChem (CID 23599396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).