[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

C15H11FO3S — CID 2131486

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FO3S/c16-12-5-3-11(4-6-12)14(17)10-19-15(18)8-7-13-2-1-9-20-13/h1-9H,10H2/b8-7+
InChIKeyVJAGXKCSWOADTG-BQYQJAHWSA-N
MW290.31 g/mol
LogP3.33
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (PubChem CID 2131486) has the molecular formula C15H11FO3S and a molecular weight of 290.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
PubChem CID2131486
Molecular FormulaC15H11FO3S
Molecular Weight290.31 g/mol
Exact Mass290.04
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
SMILESO=C(/C=C/c1cccs1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11FO3S/c16-12-5-3-11(4-6-12)14(17)10-19-15(18)8-7-13-2-1-9-20-13/h1-9H,10H2/b8-7+
InChIKeyVJAGXKCSWOADTG-BQYQJAHWSA-N
XLogP3.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate (CID 2131486) is [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is O=C(/C=C/c1cccs1)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
The InChIKey is VJAGXKCSWOADTG-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11FO3S/c16-12-5-3-11(4-6-12)14(17)10-19-15(18)8-7-13-2-1-9-20-13/h1-9H,10H2/b8-7+.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate?
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate has a molecular weight of 290.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is sourced from PubChem (CID 2131486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).