2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid

C12H7F3O2S — CID 67052472

IUPAC2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)8-3-1-7(2-4-8)10-9(11(16)17)5-6-18-10/h1-6H,(H,16,17)
InChIKeyDEGRMAFMACQBHH-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.13
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid

2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid (PubChem CID 67052472) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
PubChem CID67052472
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Name2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)8-3-1-7(2-4-8)10-9(11(16)17)5-6-18-10/h1-6H,(H,16,17)
InChIKeyDEGRMAFMACQBHH-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 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid (CID 67052472) is 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid is O=C(O)c1ccsc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
The InChIKey is DEGRMAFMACQBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c13-12(14,15)8-3-1-7(2-4-8)10-9(11(16)17)5-6-18-10/h1-6H,(H,16,17).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid?
2-[4-(trifluoromethyl)phenyl]thiophene-3-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 2-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 67052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).