2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one

C14H10FNO2Se — CID 166631306

IUPAC2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1ccc(F)cc1-n1[se]c2ccccc2c1=O
InChIInChI=1S/C14H10FNO2Se/c1-18-12-7-6-9(15)8-11(12)16-14(17)10-4-2-3-5-13(10)19-16/h2-8H,1H3
InChIKeyDULMUIKFSYXIGY-UHFFFAOYSA-N
MW322.20 g/mol
LogP2.20
Rot. Bonds2

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

2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one (PubChem CID 166631306) has the molecular formula C14H10FNO2Se and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
PubChem CID166631306
Molecular FormulaC14H10FNO2Se
Molecular Weight322.20 g/mol
Exact Mass322.99
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1ccc(F)cc1-n1[se]c2ccccc2c1=O
InChIInChI=1S/C14H10FNO2Se/c1-18-12-7-6-9(15)8-11(12)16-14(17)10-4-2-3-5-13(10)19-16/h2-8H,1H3
InChIKeyDULMUIKFSYXIGY-UHFFFAOYSA-N
XLogP2.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one (CID 166631306) is 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one is COc1ccc(F)cc1-n1[se]c2ccccc2c1=O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one?
The InChIKey is DULMUIKFSYXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2Se/c1-18-12-7-6-9(15)8-11(12)16-14(17)10-4-2-3-5-13(10)19-16/h2-8H,1H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one?
2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one has a molecular weight of 322.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 166631306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).