3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate

C13H8F3O3S- — CID 86624370

IUPAC3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
SMILESO=C([O-])c1sccc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3O3S/c14-13(15,16)9-4-2-1-3-8(9)7-19-10-5-6-20-11(10)12(17)18/h1-6H,7H2,(H,17,18)/p-1
InChIKeyGEEFITOQJZPQMG-UHFFFAOYSA-M
MW301.27 g/mol
LogP2.71
Rot. Bonds4

About 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate

3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate (PubChem CID 86624370) has the molecular formula C13H8F3O3S- and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
PubChem CID86624370
Molecular FormulaC13H8F3O3S-
Molecular Weight301.27 g/mol
Exact Mass301.02
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
SMILESO=C([O-])c1sccc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3O3S/c14-13(15,16)9-4-2-1-3-8(9)7-19-10-5-6-20-11(10)12(17)18/h1-6H,7H2,(H,17,18)/p-1
InChIKeyGEEFITOQJZPQMG-UHFFFAOYSA-M
XLogP2.71
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(trifluoromethyl)phenyl]methoxy]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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate (CID 86624370) is 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate is O=C([O-])c1sccc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
The InChIKey is GEEFITOQJZPQMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9F3O3S/c14-13(15,16)9-4-2-1-3-8(9)7-19-10-5-6-20-11(10)12(17)18/h1-6H,7H2,(H,17,18)/p-1.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate?
3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate has a molecular weight of 301.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate is sourced from PubChem (CID 86624370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).