ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate

C10H8F2O4 — CID 117331870

IUPACethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(F)cc(F)c1O
InChIInChI=1S/C10H8F2O4/c1-2-16-10(15)9(14)6-3-5(11)4-7(12)8(6)13/h3-4,13H,2H2,1H3
InChIKeyWPMNNXWSMGAIKU-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.42
Rot. Bonds3

About ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate

ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate (PubChem CID 117331870) has the molecular formula C10H8F2O4 and a molecular weight of 230.17 g/mol. Its IUPAC name is ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate
PubChem CID117331870
Molecular FormulaC10H8F2O4
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Nameethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(F)cc(F)c1O
InChIInChI=1S/C10H8F2O4/c1-2-16-10(15)9(14)6-3-5(11)4-7(12)8(6)13/h3-4,13H,2H2,1H3
InChIKeyWPMNNXWSMGAIKU-UHFFFAOYSA-N
XLogP1.42
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
ethyl 2-[5-[(dimethylamino)methyl]-3-fluoro-2-hydroxyphenyl]-2-oxoacetate
CID 117426168
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
ethyl 2-(3-fluoro-4,5-dihydroxyphenyl)-2-oxoacetate
CID 117328159
ethyl 2-(5-fluoro-3-methoxy-2-methylphenyl)-2-oxoacetate
CID 117352680
ethyl 2-(5-fluoro-2,3-dimethoxyphenyl)-2-oxoacetate
CID 117393511
ethyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)-2-oxoacetate
CID 117324826
ethyl 2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetate
CID 117405923
ethyl 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-oxoacetate
CID 117471823
ethyl 2-(4,5-difluoro-2-formylphenyl)-2-oxoacetate
CID 117356921
ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-oxoacetate
CID 117369049
ethyl 2-(3-fluoro-4-hydroxy-5-methoxyphenyl)-2-oxoacetate
CID 117356980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate (CID 117331870) is ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate is CCOC(=O)C(=O)c1cc(F)cc(F)c1O.
What is the InChIKey of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate?
The InChIKey is WPMNNXWSMGAIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O4/c1-2-16-10(15)9(14)6-3-5(11)4-7(12)8(6)13/h3-4,13H,2H2,1H3.
What are the key properties of ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate?
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate has a molecular weight of 230.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate is sourced from PubChem (CID 117331870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).