thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid

C7H5F3O4S — CID 69116266

IUPACthiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C2HF3O2/c6-5(7)4-2-1-3-8-4;3-2(4,5)1(6)7/h1-3H,(H,6,7);(H,6,7)
InChIKeyFIVUDUPNIJKABK-UHFFFAOYSA-N
MW242.17 g/mol
LogP2.08
Rot. Bonds1

About thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid

thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 69116266) has the molecular formula C7H5F3O4S and a molecular weight of 242.17 g/mol. Its IUPAC name is thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namethiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID69116266
Molecular FormulaC7H5F3O4S
Molecular Weight242.17 g/mol
Exact Mass241.99
IUPAC Namethiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cccs1
InChIInChI=1S/C5H4O2S.C2HF3O2/c6-5(7)4-2-1-3-8-4;3-2(4,5)1(6)7/h1-3H,(H,6,7);(H,6,7)
InChIKeyFIVUDUPNIJKABK-UHFFFAOYSA-N
XLogP2.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze thiophene-2-carboxylic acid;2,2,2-trifluoroacetic 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 thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 69116266) is thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1cccs1.
What is the InChIKey of thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is FIVUDUPNIJKABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2S.C2HF3O2/c6-5(7)4-2-1-3-8-4;3-2(4,5)1(6)7/h1-3H,(H,6,7);(H,6,7).
What are the key properties of thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid?
thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 242.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69116266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).