3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid

C6H3F3O3S — CID 2759348

IUPAC3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)cc1O
InChIInChI=1S/C6H3F3O3S/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1,10H,(H,11,12)
InChIKeyVPXDRKKLIQLLJO-UHFFFAOYSA-N
MW212.15 g/mol
LogP2.17
Rot. Bonds1

About 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid

3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 2759348) has the molecular formula C6H3F3O3S and a molecular weight of 212.15 g/mol. Its IUPAC name is 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID2759348
Molecular FormulaC6H3F3O3S
Molecular Weight212.15 g/mol
Exact Mass211.98
IUPAC Name3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sc(C(F)(F)F)cc1O
InChIInChI=1S/C6H3F3O3S/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1,10H,(H,11,12)
InChIKeyVPXDRKKLIQLLJO-UHFFFAOYSA-N
XLogP2.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid (CID 2759348) is 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid is O=C(O)c1sc(C(F)(F)F)cc1O.
What is the InChIKey of 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is VPXDRKKLIQLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O3S/c7-6(8,9)3-1-2(10)4(13-3)5(11)12/h1,10H,(H,11,12).
What are the key properties of 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid?
3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 212.15 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2759348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).