ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

C14H11F3O2S — CID 86182726

IUPACethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C14H11F3O2S/c1-2-19-13(18)12-10(9-6-4-3-5-7-9)8-11(20-12)14(15,16)17/h3-8H,2H2,1H3
InChIKeyAJPGDBQSJKJLNL-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.61
Rot. Bonds3

About ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (PubChem CID 86182726) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
PubChem CID86182726
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Nameethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C14H11F3O2S/c1-2-19-13(18)12-10(9-6-4-3-5-7-9)8-11(20-12)14(15,16)17/h3-8H,2H2,1H3
InChIKeyAJPGDBQSJKJLNL-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
Ethyl 4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylate
CID 695057
Dimethyl 1-benzothiophene-2,3-dicarboxylate
CID 3245763
Methyl benzo(b)thiophene-2-carboxylate
CID 2800344
2-Oxo-2-phenylethyl thiophene-2-carboxylate
CID 570654
2-(2-Thienyl)-4H-3,1-benzoxathiin-4-one
CID 348051
5-(4-Fluorophenyl)thiophene-2-carboxylic acid
CID 1873401
3-phenylthiophene-2-carboxylic Acid
CID 2517625
Methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 3549325
5-(2-Methylphenyl)thiophene-2-carboxylic acid
CID 16060152
5-(2-Ethylphenyl)thiophene-2-carboxylic acid
CID 43153964
Benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester
CID 875199

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate (CID 86182726) is ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is CCOC(=O)c1sc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
The InChIKey is AJPGDBQSJKJLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c1-2-19-13(18)12-10(9-6-4-3-5-7-9)8-11(20-12)14(15,16)17/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate?
ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate has a molecular weight of 300.30 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate is sourced from PubChem (CID 86182726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).