2-diazo-2-fluoro-1-phenylethanone

C8H5FN2O — CID 151445547

IUPAC2-diazo-2-fluoro-1-phenylethanone
SMILES[N-]=[N+]=C(F)C(=O)c1ccccc1
InChIInChI=1S/C8H5FN2O/c9-8(11-10)7(12)6-4-2-1-3-5-6/h1-5H
InChIKeyPFKGRLBVKRDMRD-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.47
Rot. Bonds2

About 2-diazo-2-fluoro-1-phenylethanone

2-diazo-2-fluoro-1-phenylethanone (PubChem CID 151445547) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-diazo-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-diazo-2-fluoro-1-phenylethanone
PubChem CID151445547
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-diazo-2-fluoro-1-phenylethanone
SMILES[N-]=[N+]=C(F)C(=O)c1ccccc1
InChIInChI=1S/C8H5FN2O/c9-8(11-10)7(12)6-4-2-1-3-5-6/h1-5H
InChIKeyPFKGRLBVKRDMRD-UHFFFAOYSA-N
XLogP1.47
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
2-diazo-3,3,3-trifluoro-1-phenylpropan-1-one
CID 162513302
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
2-oxo-2-phenylacetyl azide
CID 54447915
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
(Z)-2,3-difluoro-1-phenylbut-2-en-1-one
CID 23236975
benzoyl fluoride;tetrahydrofluoride
CID 139728839

Frequently Asked Questions

What is the IUPAC name of 2-diazo-2-fluoro-1-phenylethanone?
The IUPAC name of 2-diazo-2-fluoro-1-phenylethanone (CID 151445547) is 2-diazo-2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-diazo-2-fluoro-1-phenylethanone?
The canonical SMILES for 2-diazo-2-fluoro-1-phenylethanone is [N-]=[N+]=C(F)C(=O)c1ccccc1.
What is the InChIKey of 2-diazo-2-fluoro-1-phenylethanone?
The InChIKey is PFKGRLBVKRDMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-8(11-10)7(12)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-diazo-2-fluoro-1-phenylethanone?
2-diazo-2-fluoro-1-phenylethanone has a molecular weight of 164.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-fluoro-1-phenylethanone is sourced from PubChem (CID 151445547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).