[(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene

C9H9FOSe — CID 12578040

IUPAC[(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene
SMILESCO/C(F)=C/[Se]c1ccccc1
InChIInChI=1S/C9H9FOSe/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyROQHIQFAZOVYBE-VQHVLOKHSA-N
MW231.13 g/mol
LogP1.43
Rot. Bonds3

About [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene

[(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene (PubChem CID 12578040) has the molecular formula C9H9FOSe and a molecular weight of 231.13 g/mol. Its IUPAC name is [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene.

Molecular Properties

Compound Name[(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene
PubChem CID12578040
Molecular FormulaC9H9FOSe
Molecular Weight231.13 g/mol
Exact Mass231.98
IUPAC Name[(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene
SMILESCO/C(F)=C/[Se]c1ccccc1
InChIInChI=1S/C9H9FOSe/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyROQHIQFAZOVYBE-VQHVLOKHSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene?
The IUPAC name of [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene (CID 12578040) is [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene.
What is the SMILES notation for [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene?
The canonical SMILES for [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene is CO/C(F)=C/[Se]c1ccccc1.
What is the InChIKey of [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene?
The InChIKey is ROQHIQFAZOVYBE-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H9FOSe/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+.
What are the key properties of [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene?
[(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene has a molecular weight of 231.13 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-fluoro-2-methoxyethenyl]selanylbenzene is sourced from PubChem (CID 12578040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).