ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate

C12H10F2O4 — CID 117393392

IUPACethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)cc(F)c2occc12
InChIInChI=1S/C12H10F2O4/c1-2-17-12(16)10(15)9-6-3-4-18-11(6)8(14)5-7(9)13/h3-5,10,15H,2H2,1H3
InChIKeyCBUJCGGBXDXSBZ-UHFFFAOYSA-N
MW256.20 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate

ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate (PubChem CID 117393392) has the molecular formula C12H10F2O4 and a molecular weight of 256.20 g/mol. Its IUPAC name is ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
PubChem CID117393392
Molecular FormulaC12H10F2O4
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Nameethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)cc(F)c2occc12
InChIInChI=1S/C12H10F2O4/c1-2-17-12(16)10(15)9-6-3-4-18-11(6)8(14)5-7(9)13/h3-5,10,15H,2H2,1H3
InChIKeyCBUJCGGBXDXSBZ-UHFFFAOYSA-N
XLogP2.31
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
1-(5,7-difluoro-1-benzofuran-4-yl)-2-(methylamino)ethanol
CID 117326258
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 2-(4-fluoro-2,3-dimethoxy-6-methylphenyl)-2-hydroxyacetate
CID 117433354
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate (CID 117393392) is ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1c(F)cc(F)c2occc12.
What is the InChIKey of ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate?
The InChIKey is CBUJCGGBXDXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O4/c1-2-17-12(16)10(15)9-6-3-4-18-11(6)8(14)5-7(9)13/h3-5,10,15H,2H2,1H3.
What are the key properties of ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate?
ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate has a molecular weight of 256.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,7-difluoro-1-benzofuran-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 117393392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).