5-(trifluoromethyl)thiophene-2-carboxylic acid

C6H3F3O2S — CID 2049051

IUPAC5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C6H3F3O2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)
InChIKeyMTPNYGZXGMOELX-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.47
Rot. Bonds1

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

5-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 2049051) has the molecular formula C6H3F3O2S and a molecular weight of 196.15 g/mol. Its IUPAC name is 5-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID2049051
Molecular FormulaC6H3F3O2S
Molecular Weight196.15 g/mol
Exact Mass195.98
IUPAC Name5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C6H3F3O2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)
InChIKeyMTPNYGZXGMOELX-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)thiophene-2-carboxylic acid (CID 2049051) is 5-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 5-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is MTPNYGZXGMOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11).
What are the key properties of 5-(trifluoromethyl)thiophene-2-carboxylic acid?
5-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 196.15 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 2049051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).