tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate

C12H17F3O4 — CID 11822082

IUPACtert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC1CC(C(=O)OC(C)(C)C)=C(C(F)(F)F)O1
InChIInChI=1S/C12H17F3O4/c1-5-17-8-6-7(9(18-8)12(13,14)15)10(16)19-11(2,3)4/h8H,5-6H2,1-4H3
InChIKeyACLFNWUTOHQOJK-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate

tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 11822082) has the molecular formula C12H17F3O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID11822082
Molecular FormulaC12H17F3O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Nametert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC1CC(C(=O)OC(C)(C)C)=C(C(F)(F)F)O1
InChIInChI=1S/C12H17F3O4/c1-5-17-8-6-7(9(18-8)12(13,14)15)10(16)19-11(2,3)4/h8H,5-6H2,1-4H3
InChIKeyACLFNWUTOHQOJK-UHFFFAOYSA-N
XLogP2.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-ethoxy-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 tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate (CID 11822082) is tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate is CCOC1CC(C(=O)OC(C)(C)C)=C(C(F)(F)F)O1.
What is the InChIKey of tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is ACLFNWUTOHQOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O4/c1-5-17-8-6-7(9(18-8)12(13,14)15)10(16)19-11(2,3)4/h8H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethoxy-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11822082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).