5-fluorothiophene-2-carboxylic acid

C5H3FO2S — CID 11804901

IUPAC5-fluorothiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(F)s1
InChIInChI=1S/C5H3FO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKeyXQURBTZGKJENJS-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.59
Rot. Bonds1

About 5-fluorothiophene-2-carboxylic acid

5-fluorothiophene-2-carboxylic acid (PubChem CID 11804901) has the molecular formula C5H3FO2S and a molecular weight of 146.14 g/mol. Its IUPAC name is 5-fluorothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-fluorothiophene-2-carboxylic acid
PubChem CID11804901
Molecular FormulaC5H3FO2S
Molecular Weight146.14 g/mol
Exact Mass145.98
IUPAC Name5-fluorothiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(F)s1
InChIInChI=1S/C5H3FO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKeyXQURBTZGKJENJS-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

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Frequently Asked Questions

What is the IUPAC name of 5-fluorothiophene-2-carboxylic acid?
The IUPAC name of 5-fluorothiophene-2-carboxylic acid (CID 11804901) is 5-fluorothiophene-2-carboxylic acid.
What is the SMILES notation for 5-fluorothiophene-2-carboxylic acid?
The canonical SMILES for 5-fluorothiophene-2-carboxylic acid is O=C(O)c1ccc(F)s1.
What is the InChIKey of 5-fluorothiophene-2-carboxylic acid?
The InChIKey is XQURBTZGKJENJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8).
What are the key properties of 5-fluorothiophene-2-carboxylic acid?
5-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 5-fluorothiophene-2-carboxylic acid is sourced from PubChem (CID 11804901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).