ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate

C14H15FO3S — CID 91284433

IUPACethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate
SMILESCCOC(=O)Cc1oc2ccc(F)cc2c1SCC
InChIInChI=1S/C14H15FO3S/c1-3-17-13(16)8-12-14(19-4-2)10-7-9(15)5-6-11(10)18-12/h5-7H,3-4,8H2,1-2H3
InChIKeyYEFJCIZUZBYITJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.79
Rot. Bonds5

About ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate

ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate (PubChem CID 91284433) has the molecular formula C14H15FO3S and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate
PubChem CID91284433
Molecular FormulaC14H15FO3S
Molecular Weight282.34 g/mol
Exact Mass282.07
IUPAC Nameethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate
SMILESCCOC(=O)Cc1oc2ccc(F)cc2c1SCC
InChIInChI=1S/C14H15FO3S/c1-3-17-13(16)8-12-14(19-4-2)10-7-9(15)5-6-11(10)18-12/h5-7H,3-4,8H2,1-2H3
InChIKeyYEFJCIZUZBYITJ-UHFFFAOYSA-N
XLogP3.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate?
The IUPAC name of ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate (CID 91284433) is ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate is CCOC(=O)Cc1oc2ccc(F)cc2c1SCC.
What is the InChIKey of ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate?
The InChIKey is YEFJCIZUZBYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3S/c1-3-17-13(16)8-12-14(19-4-2)10-7-9(15)5-6-11(10)18-12/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate?
ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate has a molecular weight of 282.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylsulfanyl-5-fluoro-1-benzofuran-2-yl)acetate is sourced from PubChem (CID 91284433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).