4-fluoro-3-thiophen-2-ylbenzoic acid

C11H7FO2S — CID 52984079

IUPAC4-fluoro-3-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C11H7FO2S/c12-9-4-3-7(11(13)14)6-8(9)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeySIMZNYBTEGNINQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.25
Rot. Bonds2

About 4-fluoro-3-thiophen-2-ylbenzoic acid

4-fluoro-3-thiophen-2-ylbenzoic acid (PubChem CID 52984079) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-fluoro-3-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-3-thiophen-2-ylbenzoic acid
PubChem CID52984079
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name4-fluoro-3-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccs2)c1
InChIInChI=1S/C11H7FO2S/c12-9-4-3-7(11(13)14)6-8(9)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeySIMZNYBTEGNINQ-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3-thiophen-2-ylbenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-carboxy-2-thiophen-2-ylphenyl)disulfanyl]-3-thiophen-2-ylbenzoic acid
CID 150011049
4-(difluoromethoxy)-3-thiophen-2-ylbenzoic acid
CID 82093065
3-(3-chlorothiophen-2-yl)-4-fluorobenzoic acid
CID 107957646
2-fluoro-5-thiophen-2-ylbenzoic acid
CID 16768898
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
methyl 2-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]-2-methylpropanoate
CID 61103428
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
CID 63073470
5-thiophen-2-ylfuran-3-carboxylic acid
CID 127019923

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-thiophen-2-ylbenzoic acid?
The IUPAC name of 4-fluoro-3-thiophen-2-ylbenzoic acid (CID 52984079) is 4-fluoro-3-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 4-fluoro-3-thiophen-2-ylbenzoic acid?
The canonical SMILES for 4-fluoro-3-thiophen-2-ylbenzoic acid is O=C(O)c1ccc(F)c(-c2cccs2)c1.
What is the InChIKey of 4-fluoro-3-thiophen-2-ylbenzoic acid?
The InChIKey is SIMZNYBTEGNINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-9-4-3-7(11(13)14)6-8(9)10-2-1-5-15-10/h1-6H,(H,13,14).
What are the key properties of 4-fluoro-3-thiophen-2-ylbenzoic acid?
4-fluoro-3-thiophen-2-ylbenzoic acid has a molecular weight of 222.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 52984079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).