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

C12H17F3O4 — CID 11289040

IUPACethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(OCC(C)C)C1
InChIInChI=1S/C12H17F3O4/c1-4-17-11(16)8-5-9(18-6-7(2)3)19-10(8)12(13,14)15/h7,9H,4-6H2,1-3H3
InChIKeyGFLOAJGKIDHBQU-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.78
Rot. Bonds5

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

ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 11289040) has the molecular formula C12H17F3O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID11289040
Molecular FormulaC12H17F3O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Nameethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)OC(OCC(C)C)C1
InChIInChI=1S/C12H17F3O4/c1-4-17-11(16)8-5-9(18-6-7(2)3)19-10(8)12(13,14)15/h7,9H,4-6H2,1-3H3
InChIKeyGFLOAJGKIDHBQU-UHFFFAOYSA-N
XLogP2.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate (CID 11289040) is ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C(F)(F)F)OC(OCC(C)C)C1.
What is the InChIKey of ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is GFLOAJGKIDHBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O4/c1-4-17-11(16)8-5-9(18-6-7(2)3)19-10(8)12(13,14)15/h7,9H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate?
ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylpropoxy)-5-(trifluoromethyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 11289040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).