4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

C12H7F3O2S — CID 117222383

IUPAC4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)9-4-2-1-3-8(9)7-5-10(11(16)17)18-6-7/h1-6H,(H,16,17)
InChIKeyWWCBFWUYVWIZAG-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.13
Rot. Bonds2

About 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 117222383) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID117222383
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Name4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2C(F)(F)F)cs1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)9-4-2-1-3-8(9)7-5-10(11(16)17)18-6-7/h1-6H,(H,16,17)
InChIKeyWWCBFWUYVWIZAG-UHFFFAOYSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid (CID 117222383) is 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2C(F)(F)F)cs1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is WWCBFWUYVWIZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c13-12(14,15)9-4-2-1-3-8(9)7-5-10(11(16)17)18-6-7/h1-6H,(H,16,17).
What are the key properties of 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 272.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 117222383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).