ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate

C12H11FO5 — CID 79357419

IUPACethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate
SMILESCCOC(=O)C(F)Oc1ccc2c(c1)OCC2=O
InChIInChI=1S/C12H11FO5/c1-2-16-12(15)11(13)18-7-3-4-8-9(14)6-17-10(8)5-7/h3-5,11H,2,6H2,1H3
InChIKeyFVYKUKXBTLJZBK-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate

ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate (PubChem CID 79357419) has the molecular formula C12H11FO5 and a molecular weight of 254.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate
PubChem CID79357419
Molecular FormulaC12H11FO5
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Nameethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate
SMILESCCOC(=O)C(F)Oc1ccc2c(c1)OCC2=O
InChIInChI=1S/C12H11FO5/c1-2-16-12(15)11(13)18-7-3-4-8-9(14)6-17-10(8)5-7/h3-5,11H,2,6H2,1H3
InChIKeyFVYKUKXBTLJZBK-UHFFFAOYSA-N
XLogP1.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanenitrile
CID 63097294
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094838
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-methoxy-1-benzofuran-3-one
CID 585368
N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63095016

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate?
The IUPAC name of ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate (CID 79357419) is ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate?
The canonical SMILES for ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate is CCOC(=O)C(F)Oc1ccc2c(c1)OCC2=O.
What is the InChIKey of ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate?
The InChIKey is FVYKUKXBTLJZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO5/c1-2-16-12(15)11(13)18-7-3-4-8-9(14)6-17-10(8)5-7/h3-5,11H,2,6H2,1H3.
What are the key properties of ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate?
ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate has a molecular weight of 254.21 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate is sourced from PubChem (CID 79357419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).