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

C13H7F2NOSe — CID 166630257

IUPAC2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccc(F)cc1F
InChIInChI=1S/C13H7F2NOSe/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
InChIKeyFXQQQVCODYDNGH-UHFFFAOYSA-N
MW310.16 g/mol
LogP2.33
Rot. Bonds1

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

2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one (PubChem CID 166630257) has the molecular formula C13H7F2NOSe and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one
PubChem CID166630257
Molecular FormulaC13H7F2NOSe
Molecular Weight310.16 g/mol
Exact Mass310.97
IUPAC Name2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccc(F)cc1F
InChIInChI=1S/C13H7F2NOSe/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H
InChIKeyFXQQQVCODYDNGH-UHFFFAOYSA-N
XLogP2.33
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 52.33
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-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one (CID 166630257) is 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one?
The InChIKey is FXQQQVCODYDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NOSe/c14-8-5-6-11(10(15)7-8)16-13(17)9-3-1-2-4-12(9)18-16/h1-7H.
What are the key properties of 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one?
2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one has a molecular weight of 310.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 166630257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).