ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate

C20H15F3O3 — CID 22934575

IUPACethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C20H15F3O3/c1-2-25-19(24)15-5-3-4-14(12-15)18-11-10-17(26-18)13-6-8-16(9-7-13)20(21,22)23/h3-12H,2H2,1H3
InChIKeyKKYFYDNMVUJMBZ-UHFFFAOYSA-N
MW360.33 g/mol
LogP5.81
Rot. Bonds4

About ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate

ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate (PubChem CID 22934575) has the molecular formula C20H15F3O3 and a molecular weight of 360.33 g/mol. Its IUPAC name is ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
PubChem CID22934575
Molecular FormulaC20H15F3O3
Molecular Weight360.33 g/mol
Exact Mass360.10
IUPAC Nameethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1
InChIInChI=1S/C20H15F3O3/c1-2-25-19(24)15-5-3-4-14(12-15)18-11-10-17(26-18)13-6-8-16(9-7-13)20(21,22)23/h3-12H,2H2,1H3
InChIKeyKKYFYDNMVUJMBZ-UHFFFAOYSA-N
XLogP5.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate 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

diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664
ethyl 7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylate
CID 171990149
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
ethyl 3-[4-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl]benzoate
CID 134944481
ethyl 4-[5-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]furan-2-yl]benzoate
CID 4846937
ethyl 3-[5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-yl]benzoate
CID 50887305
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[5-(2-nitroethenyl)furan-2-yl]benzoate
CID 897550
ethyl 3-thiophen-2-ylbenzoate
CID 162653930

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate?
The IUPAC name of ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate (CID 22934575) is ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate.
What is the SMILES notation for ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate?
The canonical SMILES for ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate is CCOC(=O)c1cccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1.
What is the InChIKey of ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate?
The InChIKey is KKYFYDNMVUJMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3/c1-2-25-19(24)15-5-3-4-14(12-15)18-11-10-17(26-18)13-6-8-16(9-7-13)20(21,22)23/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate?
ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate has a molecular weight of 360.33 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]benzoate is sourced from PubChem (CID 22934575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).