2-fluoro-5-thiophen-2-ylbenzoic acid

C11H7FO2S — CID 16768898

IUPAC2-fluoro-5-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cccs2)ccc1F
InChIInChI=1S/C11H7FO2S/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyAJZQGTREOWCZIG-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.25
Rot. Bonds2

About 2-fluoro-5-thiophen-2-ylbenzoic acid

2-fluoro-5-thiophen-2-ylbenzoic acid (PubChem CID 16768898) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-fluoro-5-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-thiophen-2-ylbenzoic acid
PubChem CID16768898
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name2-fluoro-5-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1cc(-c2cccs2)ccc1F
InChIInChI=1S/C11H7FO2S/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6H,(H,13,14)
InChIKeyAJZQGTREOWCZIG-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-thiophen-2-ylbenzoic acid?
The IUPAC name of 2-fluoro-5-thiophen-2-ylbenzoic acid (CID 16768898) is 2-fluoro-5-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-thiophen-2-ylbenzoic acid?
The canonical SMILES for 2-fluoro-5-thiophen-2-ylbenzoic acid is O=C(O)c1cc(-c2cccs2)ccc1F.
What is the InChIKey of 2-fluoro-5-thiophen-2-ylbenzoic acid?
The InChIKey is AJZQGTREOWCZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6H,(H,13,14).
What are the key properties of 2-fluoro-5-thiophen-2-ylbenzoic acid?
2-fluoro-5-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 2-fluoro-5-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 16768898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).