2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one

C15H12FNOSe — CID 172548413

IUPAC2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one
SMILESCc1ccc(C)c(-n2[se]c3cc(F)ccc3c2=O)c1
InChIInChI=1S/C15H12FNOSe/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
InChIKeySOENFIHTJBHDJF-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.80
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one

2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one (PubChem CID 172548413) has the molecular formula C15H12FNOSe and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one
PubChem CID172548413
Molecular FormulaC15H12FNOSe
Molecular Weight320.23 g/mol
Exact Mass321.01
IUPAC Name2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one
SMILESCc1ccc(C)c(-n2[se]c3cc(F)ccc3c2=O)c1
InChIInChI=1S/C15H12FNOSe/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3
InChIKeySOENFIHTJBHDJF-UHFFFAOYSA-N
XLogP2.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one (CID 172548413) is 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one is Cc1ccc(C)c(-n2[se]c3cc(F)ccc3c2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one?
The InChIKey is SOENFIHTJBHDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOSe/c1-9-3-4-10(2)13(7-9)17-15(18)12-6-5-11(16)8-14(12)19-17/h3-8H,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one?
2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one has a molecular weight of 320.23 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-6-fluoro-1,2-benzoselenazol-3-one is sourced from PubChem (CID 172548413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).