ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate

C15H15F3O3 — CID 132538739

IUPACethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H15F3O3/c1-3-20-14(19)11-8-12(21-13(11)15(16,17)18)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKeyZFYOKNAPXDWNRA-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.84
Rot. Bonds3

About ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate

ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 132538739) has the molecular formula C15H15F3O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID132538739
Molecular FormulaC15H15F3O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Nameethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(c2ccc(C)cc2)C1
InChIInChI=1S/C15H15F3O3/c1-3-20-14(19)11-8-12(21-13(11)15(16,17)18)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKeyZFYOKNAPXDWNRA-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-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 ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate (CID 132538739) is ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C(F)(F)F)OC(c2ccc(C)cc2)C1.
What is the InChIKey of ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is ZFYOKNAPXDWNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O3/c1-3-20-14(19)11-8-12(21-13(11)15(16,17)18)10-6-4-9(2)5-7-10/h4-7,12H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 300.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 132538739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).