3-(2,4-difluorophenyl)thiophene-2-carboxylic acid

C11H6F2O2S — CID 63797013

IUPAC3-(2,4-difluorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc(F)cc1F
InChIInChI=1S/C11H6F2O2S/c12-6-1-2-7(9(13)5-6)8-3-4-16-10(8)11(14)15/h1-5H,(H,14,15)
InChIKeyCLGAZDBWUISBOU-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.39
Rot. Bonds2

About 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid

3-(2,4-difluorophenyl)thiophene-2-carboxylic acid (PubChem CID 63797013) has the molecular formula C11H6F2O2S and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)thiophene-2-carboxylic acid
PubChem CID63797013
Molecular FormulaC11H6F2O2S
Molecular Weight240.23 g/mol
Exact Mass240.01
IUPAC Name3-(2,4-difluorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc(F)cc1F
InChIInChI=1S/C11H6F2O2S/c12-6-1-2-7(9(13)5-6)8-3-4-16-10(8)11(14)15/h1-5H,(H,14,15)
InChIKeyCLGAZDBWUISBOU-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-difluorophenyl)thiophene-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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid (CID 63797013) is 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1-c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid?
The InChIKey is CLGAZDBWUISBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2O2S/c12-6-1-2-7(9(13)5-6)8-3-4-16-10(8)11(14)15/h1-5H,(H,14,15).
What are the key properties of 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid?
3-(2,4-difluorophenyl)thiophene-2-carboxylic acid has a molecular weight of 240.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63797013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).