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

C8H9F3O3 — CID 123450304

IUPACethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)CCO1
InChIInChI=1S/C8H9F3O3/c1-2-13-7(12)6-5(3-4-14-6)8(9,10)11/h2-4H2,1H3
InChIKeyZZIBHFJRIBCOPI-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.79
Rot. Bonds2

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

ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate (PubChem CID 123450304) has the molecular formula C8H9F3O3 and a molecular weight of 210.15 g/mol. Its IUPAC name is ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
PubChem CID123450304
Molecular FormulaC8H9F3O3
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Nameethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)CCO1
InChIInChI=1S/C8H9F3O3/c1-2-13-7(12)6-5(3-4-14-6)8(9,10)11/h2-4H2,1H3
InChIKeyZZIBHFJRIBCOPI-UHFFFAOYSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate (CID 123450304) is ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate is CCOC(=O)C1=C(C(F)(F)F)CCO1.
What is the InChIKey of ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
The InChIKey is ZZIBHFJRIBCOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O3/c1-2-13-7(12)6-5(3-4-14-6)8(9,10)11/h2-4H2,1H3.
What are the key properties of ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate?
ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate has a molecular weight of 210.15 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trifluoromethyl)-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 123450304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).