[(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene

C10H11FOSe — CID 11608456

IUPAC[(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene
SMILESCCO/C=C(\F)[Se]c1ccccc1
InChIInChI=1S/C10H11FOSe/c1-2-12-8-10(11)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyNDRYZNXKVXGZQM-CSKARUKUSA-N
MW245.16 g/mol
LogP1.82
Rot. Bonds4

About [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene

[(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene (PubChem CID 11608456) has the molecular formula C10H11FOSe and a molecular weight of 245.16 g/mol. Its IUPAC name is [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene.

Molecular Properties

Compound Name[(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene
PubChem CID11608456
Molecular FormulaC10H11FOSe
Molecular Weight245.16 g/mol
Exact Mass246.00
IUPAC Name[(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene
SMILESCCO/C=C(\F)[Se]c1ccccc1
InChIInChI=1S/C10H11FOSe/c1-2-12-8-10(11)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyNDRYZNXKVXGZQM-CSKARUKUSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 51.82
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 [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene?
The IUPAC name of [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene (CID 11608456) is [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene.
What is the SMILES notation for [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene?
The canonical SMILES for [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene is CCO/C=C(\F)[Se]c1ccccc1.
What is the InChIKey of [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene?
The InChIKey is NDRYZNXKVXGZQM-CSKARUKUSA-N. The full InChI is InChI=1S/C10H11FOSe/c1-2-12-8-10(11)13-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+.
What are the key properties of [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene?
[(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene has a molecular weight of 245.16 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethoxy-1-fluoroethenyl]selanylbenzene is sourced from PubChem (CID 11608456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).