3-fluorothiophene-2-carboxylic acid

C5H3FO2S — CID 819050

IUPAC3-fluorothiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1F
InChIInChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKeyWPHRBUAOSDHRDS-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.59
Rot. Bonds1

About 3-fluorothiophene-2-carboxylic acid

3-fluorothiophene-2-carboxylic acid (PubChem CID 819050) has the molecular formula C5H3FO2S and a molecular weight of 146.14 g/mol. Its IUPAC name is 3-fluorothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-fluorothiophene-2-carboxylic acid
PubChem CID819050
Molecular FormulaC5H3FO2S
Molecular Weight146.14 g/mol
Exact Mass145.98
IUPAC Name3-fluorothiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1F
InChIInChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKeyWPHRBUAOSDHRDS-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluorothiophene-2-carboxylic 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

2-Thiophenecarboxylic acid
CID 10700
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-
CID 3042286
3-Methyl-2-thenoic acid
CID 90269
3-Thiophenecarboxylic acid, 5-methyl-
CID 209069
5-(Methylsulfanyl)thiophene-2-carboxylic acid
CID 714372
5-Methylthiophene-2-carboxylic acid
CID 74713
5-Bromothiophene-2-carboxylic acid
CID 349115
4-Methylthiophene-2-carboxylic acid
CID 2794584
Thiophene-2-carboxylate
CID 5017639
4-Bromo-2-thiophenecarboxylic Acid
CID 610409
2,5-Thiophenedicarboxylic acid
CID 20273
5-Fluorothiophene-2-carboxylic acid
CID 11804901

Frequently Asked Questions

What is the IUPAC name of 3-fluorothiophene-2-carboxylic acid?
The IUPAC name of 3-fluorothiophene-2-carboxylic acid (CID 819050) is 3-fluorothiophene-2-carboxylic acid.
What is the SMILES notation for 3-fluorothiophene-2-carboxylic acid?
The canonical SMILES for 3-fluorothiophene-2-carboxylic acid is O=C(O)c1sccc1F.
What is the InChIKey of 3-fluorothiophene-2-carboxylic acid?
The InChIKey is WPHRBUAOSDHRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8).
What are the key properties of 3-fluorothiophene-2-carboxylic acid?
3-fluorothiophene-2-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorothiophene-2-carboxylic acid is sourced from PubChem (CID 819050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).