2-azido-1-(4-fluorophenyl)propan-1-one

C9H8FN3O — CID 15889768

IUPAC2-azido-1-(4-fluorophenyl)propan-1-one
SMILESCC(N=[N+]=[N-])C(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FN3O/c1-6(12-13-11)9(14)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyZKGYQNHWDKSLLB-UHFFFAOYSA-N
MW193.18 g/mol
LogP2.71
Rot. Bonds3

About 2-azido-1-(4-fluorophenyl)propan-1-one

2-azido-1-(4-fluorophenyl)propan-1-one (PubChem CID 15889768) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-azido-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-azido-1-(4-fluorophenyl)propan-1-one
PubChem CID15889768
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-azido-1-(4-fluorophenyl)propan-1-one
SMILESCC(N=[N+]=[N-])C(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FN3O/c1-6(12-13-11)9(14)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyZKGYQNHWDKSLLB-UHFFFAOYSA-N
XLogP2.71
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.71
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-(4-methylphenyl)propan-1-one
CID 11458162
2-azido-2-fluoro-1-(4-methylphenyl)ethanone
CID 170553086
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
CID 10262355
(2S,3S)-2-azido-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
CID 101157836
1-(4-fluorophenyl)-2-methylbut-3-en-1-one
CID 10954084
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
[(2S)-1-(4-fluorophenyl)-1-oxobutan-2-yl]azanium
CID 6940475
(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
CID 121488314
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
2-azidopropanoic acid
CID 14720889

Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-azido-1-(4-fluorophenyl)propan-1-one (CID 15889768) is 2-azido-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-azido-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-azido-1-(4-fluorophenyl)propan-1-one is CC(N=[N+]=[N-])C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-azido-1-(4-fluorophenyl)propan-1-one?
The InChIKey is ZKGYQNHWDKSLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-6(12-13-11)9(14)7-2-4-8(10)5-3-7/h2-6H,1H3.
What are the key properties of 2-azido-1-(4-fluorophenyl)propan-1-one?
2-azido-1-(4-fluorophenyl)propan-1-one has a molecular weight of 193.18 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 15889768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).