2-(3-fluoromorpholin-4-yl)benzoyl azide

C11H11FN4O2 — CID 174687250

IUPAC2-(3-fluoromorpholin-4-yl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccccc1N1CCOCC1F
InChIInChI=1S/C11H11FN4O2/c12-10-7-18-6-5-16(10)9-4-2-1-3-8(9)11(17)14-15-13/h1-4,10H,5-7H2
InChIKeyNGPMEJLTFPANJR-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.27
Rot. Bonds2

About 2-(3-fluoromorpholin-4-yl)benzoyl azide

2-(3-fluoromorpholin-4-yl)benzoyl azide (PubChem CID 174687250) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(3-fluoromorpholin-4-yl)benzoyl azide.

Molecular Properties

Compound Name2-(3-fluoromorpholin-4-yl)benzoyl azide
PubChem CID174687250
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-(3-fluoromorpholin-4-yl)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccccc1N1CCOCC1F
InChIInChI=1S/C11H11FN4O2/c12-10-7-18-6-5-16(10)9-4-2-1-3-8(9)11(17)14-15-13/h1-4,10H,5-7H2
InChIKeyNGPMEJLTFPANJR-UHFFFAOYSA-N
XLogP2.27
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoromorpholin-4-yl)benzoyl azide?
The IUPAC name of 2-(3-fluoromorpholin-4-yl)benzoyl azide (CID 174687250) is 2-(3-fluoromorpholin-4-yl)benzoyl azide.
What is the SMILES notation for 2-(3-fluoromorpholin-4-yl)benzoyl azide?
The canonical SMILES for 2-(3-fluoromorpholin-4-yl)benzoyl azide is [N-]=[N+]=NC(=O)c1ccccc1N1CCOCC1F.
What is the InChIKey of 2-(3-fluoromorpholin-4-yl)benzoyl azide?
The InChIKey is NGPMEJLTFPANJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-10-7-18-6-5-16(10)9-4-2-1-3-8(9)11(17)14-15-13/h1-4,10H,5-7H2.
What are the key properties of 2-(3-fluoromorpholin-4-yl)benzoyl azide?
2-(3-fluoromorpholin-4-yl)benzoyl azide has a molecular weight of 250.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoromorpholin-4-yl)benzoyl azide is sourced from PubChem (CID 174687250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).