2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone

C12H9FO2S — CID 21314975

IUPAC2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(O)c1ccc(F)cc1
InChIInChI=1S/C12H9FO2S/c13-9-5-3-8(4-6-9)11(14)12(15)10-2-1-7-16-10/h1-7,11,14H
InChIKeyLNBPTMIVDUSKBN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone

2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone (PubChem CID 21314975) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone
PubChem CID21314975
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone
SMILESO=C(c1cccs1)C(O)c1ccc(F)cc1
InChIInChI=1S/C12H9FO2S/c13-9-5-3-8(4-6-9)11(14)12(15)10-2-1-7-16-10/h1-7,11,14H
InChIKeyLNBPTMIVDUSKBN-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone 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-hydroxy-1-thiophen-2-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone (CID 21314975) is 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone is O=C(c1cccs1)C(O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone?
The InChIKey is LNBPTMIVDUSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-9-5-3-8(4-6-9)11(14)12(15)10-2-1-7-16-10/h1-7,11,14H.
What are the key properties of 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone?
2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone has a molecular weight of 236.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxy-1-thiophen-2-ylethanone is sourced from PubChem (CID 21314975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).