[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

C16H13FO4S — CID 2367038

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FO4S/c17-12-5-3-11(4-6-12)14(19)10-21-16(20)8-7-13(18)15-2-1-9-22-15/h1-6,9H,7-8,10H2
InChIKeyLEXKPEOHJLKGGB-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.28
Rot. Bonds7

About [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (PubChem CID 2367038) has the molecular formula C16H13FO4S and a molecular weight of 320.34 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
PubChem CID2367038
Molecular FormulaC16H13FO4S
Molecular Weight320.34 g/mol
Exact Mass320.05
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
SMILESO=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H13FO4S/c17-12-5-3-11(4-6-12)14(19)10-21-16(20)8-7-13(18)15-2-1-9-22-15/h1-6,9H,7-8,10H2
InChIKeyLEXKPEOHJLKGGB-UHFFFAOYSA-N
XLogP3.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate 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] 4-oxo-4-thiophen-2-ylbutanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate (CID 2367038) is [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
The InChIKey is LEXKPEOHJLKGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO4S/c17-12-5-3-11(4-6-12)14(19)10-21-16(20)8-7-13(18)15-2-1-9-22-15/h1-6,9H,7-8,10H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate has a molecular weight of 320.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate is sourced from PubChem (CID 2367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).