3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid

C12H9FO2S — CID 53445805

IUPAC3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid
SMILESCc1sccc1-c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C12H9FO2S/c1-7-11(2-3-16-7)8-4-9(12(14)15)6-10(13)5-8/h2-6H,1H3,(H,14,15)
InChIKeyQIKKCCAVSNAXOS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.56
Rot. Bonds2

About 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid

3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid (PubChem CID 53445805) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid
PubChem CID53445805
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid
SMILESCc1sccc1-c1cc(F)cc(C(=O)O)c1
InChIInChI=1S/C12H9FO2S/c1-7-11(2-3-16-7)8-4-9(12(14)15)6-10(13)5-8/h2-6H,1H3,(H,14,15)
InChIKeyQIKKCCAVSNAXOS-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid 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 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid?
The IUPAC name of 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid (CID 53445805) is 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid?
The canonical SMILES for 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid is Cc1sccc1-c1cc(F)cc(C(=O)O)c1.
What is the InChIKey of 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid?
The InChIKey is QIKKCCAVSNAXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c1-7-11(2-3-16-7)8-4-9(12(14)15)6-10(13)5-8/h2-6H,1H3,(H,14,15).
What are the key properties of 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid?
3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid has a molecular weight of 236.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylthiophen-3-yl)benzoic acid is sourced from PubChem (CID 53445805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).