3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid

C14H11F3O2S — CID 57067565

IUPAC3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H11F3O2S/c1-2-9-10(8-6-4-3-5-7-8)12(14(15,16)17)20-11(9)13(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyXLBCXQNVENZGLF-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.69
Rot. Bonds3

About 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid

3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 57067565) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID57067565
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESCCc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1
InChIInChI=1S/C14H11F3O2S/c1-2-9-10(8-6-4-3-5-7-8)12(14(15,16)17)20-11(9)13(18)19/h3-7H,2H2,1H3,(H,18,19)
InChIKeyXLBCXQNVENZGLF-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic 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 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid (CID 57067565) is 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid is CCc1c(C(=O)O)sc(C(F)(F)F)c1-c1ccccc1.
What is the InChIKey of 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is XLBCXQNVENZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c1-2-9-10(8-6-4-3-5-7-8)12(14(15,16)17)20-11(9)13(18)19/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid?
3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 300.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 57067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).