2-(4-fluorophenyl)-1,2-benzoselenazol-3-one

C13H8FNOSe — CID 3067567

IUPAC2-(4-fluorophenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccc(F)cc1
InChIInChI=1S/C13H8FNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKeyCMIGAQUBRPEFDM-UHFFFAOYSA-N
MW292.17 g/mol
LogP2.19
Rot. Bonds1

About 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one

2-(4-fluorophenyl)-1,2-benzoselenazol-3-one (PubChem CID 3067567) has the molecular formula C13H8FNOSe and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,2-benzoselenazol-3-one
PubChem CID3067567
Molecular FormulaC13H8FNOSe
Molecular Weight292.17 g/mol
Exact Mass292.98
IUPAC Name2-(4-fluorophenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccc(F)cc1
InChIInChI=1S/C13H8FNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKeyCMIGAQUBRPEFDM-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ebselen
CID 3194
N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
Benzanilide
CID 7168
N-benzoyl-N-phenylhydroxylamine
CID 67536
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2-phenyl-1,2-benzisothiazol-3-(2H)-one
CID 164981
2-(4-Methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one
CID 935415
Cps 49
CID 9905583
1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-
CID 3067569
5-Fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 22416235
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
CID 1510389

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one (CID 3067567) is 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one?
The InChIKey is CMIGAQUBRPEFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H.
What are the key properties of 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one?
2-(4-fluorophenyl)-1,2-benzoselenazol-3-one has a molecular weight of 292.17 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 3067567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).