(2-carbonazidoylphenyl) 4-fluorobenzoate

C14H8FN3O3 — CID 24938769

IUPAC(2-carbonazidoylphenyl) 4-fluorobenzoate
SMILES[N-]=[N+]=NC(=O)c1ccccc1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8FN3O3/c15-10-7-5-9(6-8-10)14(20)21-12-4-2-1-3-11(12)13(19)17-18-16/h1-8H
InChIKeyRRRAFIRNNNRDHY-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.50
Rot. Bonds3

About (2-carbonazidoylphenyl) 4-fluorobenzoate

(2-carbonazidoylphenyl) 4-fluorobenzoate (PubChem CID 24938769) has the molecular formula C14H8FN3O3 and a molecular weight of 285.23 g/mol. Its IUPAC name is (2-carbonazidoylphenyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(2-carbonazidoylphenyl) 4-fluorobenzoate
PubChem CID24938769
Molecular FormulaC14H8FN3O3
Molecular Weight285.23 g/mol
Exact Mass285.05
IUPAC Name(2-carbonazidoylphenyl) 4-fluorobenzoate
SMILES[N-]=[N+]=NC(=O)c1ccccc1OC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8FN3O3/c15-10-7-5-9(6-8-10)14(20)21-12-4-2-1-3-11(12)13(19)17-18-16/h1-8H
InChIKeyRRRAFIRNNNRDHY-UHFFFAOYSA-N
XLogP3.50
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.50
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': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxyphenyl) 4-fluorobenzoate
CID 91711747
(2-cyanophenyl) 4-fluorobenzoate
CID 7934940
2,3-difluorobenzoyl azide
CID 62661740
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
2-fluoro-6-methoxybenzoyl azide
CID 65433072
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
(2-carbamoylphenyl) 4-phenylbenzoate
CID 139568532
benzoyl azide;hydrochloride
CID 174620684
6-fluoro-1H-indole-3-carbonyl azide
CID 150051952
methyl 5-bromo-2-(4-fluorobenzoyl)oxybenzoate
CID 17339880
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
2,3,4,5-tetrafluorobenzoyl azide
CID 56933865

Frequently Asked Questions

What is the IUPAC name of (2-carbonazidoylphenyl) 4-fluorobenzoate?
The IUPAC name of (2-carbonazidoylphenyl) 4-fluorobenzoate (CID 24938769) is (2-carbonazidoylphenyl) 4-fluorobenzoate.
What is the SMILES notation for (2-carbonazidoylphenyl) 4-fluorobenzoate?
The canonical SMILES for (2-carbonazidoylphenyl) 4-fluorobenzoate is [N-]=[N+]=NC(=O)c1ccccc1OC(=O)c1ccc(F)cc1.
What is the InChIKey of (2-carbonazidoylphenyl) 4-fluorobenzoate?
The InChIKey is RRRAFIRNNNRDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O3/c15-10-7-5-9(6-8-10)14(20)21-12-4-2-1-3-11(12)13(19)17-18-16/h1-8H.
What are the key properties of (2-carbonazidoylphenyl) 4-fluorobenzoate?
(2-carbonazidoylphenyl) 4-fluorobenzoate has a molecular weight of 285.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbonazidoylphenyl) 4-fluorobenzoate is sourced from PubChem (CID 24938769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).