2-azido-1-(2-fluorophenyl)ethanone

C8H6FN3O — CID 53416484

IUPAC2-azido-1-(2-fluorophenyl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccccc1F
InChIInChI=1S/C8H6FN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4H,5H2
InChIKeyPUVXRICGFWGJBH-UHFFFAOYSA-N
MW179.15 g/mol
LogP2.32
Rot. Bonds3

About 2-azido-1-(2-fluorophenyl)ethanone

2-azido-1-(2-fluorophenyl)ethanone (PubChem CID 53416484) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-azido-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-azido-1-(2-fluorophenyl)ethanone
PubChem CID53416484
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-azido-1-(2-fluorophenyl)ethanone
SMILES[N-]=[N+]=NCC(=O)c1ccccc1F
InChIInChI=1S/C8H6FN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4H,5H2
InChIKeyPUVXRICGFWGJBH-UHFFFAOYSA-N
XLogP2.32
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 52.32
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

2-azido-1-phenylethanone;ethane
CID 90958641
2-azido-1-(1-hydroxynaphthalen-2-yl)ethanone
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2-azido-1-(5-chloro-2-methylphenyl)ethanone
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CID 11152344
CID 11152344
2-azido-1-pyridin-4-ylethanone
CID 98883069
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-azido-1-(2-fluorophenyl)ethanone (CID 53416484) is 2-azido-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-azido-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-azido-1-(2-fluorophenyl)ethanone is [N-]=[N+]=NCC(=O)c1ccccc1F.
What is the InChIKey of 2-azido-1-(2-fluorophenyl)ethanone?
The InChIKey is PUVXRICGFWGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-7-4-2-1-3-6(7)8(13)5-11-12-10/h1-4H,5H2.
What are the key properties of 2-azido-1-(2-fluorophenyl)ethanone?
2-azido-1-(2-fluorophenyl)ethanone has a molecular weight of 179.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 53416484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).