ethyl 2-(2,4-difluorophenyl)-2-oxoacetate

C10H8F2O3 — CID 24722254

IUPACethyl 2-(2,4-difluorophenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChIKeyLIXARZQLEXRGQM-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.71
Rot. Bonds3

About ethyl 2-(2,4-difluorophenyl)-2-oxoacetate

ethyl 2-(2,4-difluorophenyl)-2-oxoacetate (PubChem CID 24722254) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)-2-oxoacetate
PubChem CID24722254
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Nameethyl 2-(2,4-difluorophenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChIKeyLIXARZQLEXRGQM-UHFFFAOYSA-N
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-bromo-2-fluorophenyl)-2-oxoacetate
CID 24722240
ethyl 4-(2,4-difluorophenyl)-2,4-dioxobutanoate
CID 603034
ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
CID 72579109
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-oxoacetate
CID 117331870
ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
ethyl 2-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-oxoacetate
CID 118647237
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
ethyl 1-(2,4-difluorobenzoyl)cyclopropane-1-carboxylate
CID 14994815
ethyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)-2-oxoacetate
CID 117324826
1-bromo-4-chloro-2-fluorobenzene;ethyl 2-(4-chloro-2-fluorophenyl)-2-oxoacetate;ethyl 3,3-dichloro-2-(4-chloro-2-fluorophenyl)prop-2-enoate
CID 158904024
ethyl 2-(4-fluoronaphthalen-1-yl)-2-oxoacetate
CID 22475340
ethyl 2-[4-(4-fluorophenyl)-2-prop-1-en-2-ylphenyl]-2-oxoacetate
CID 134251629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)-2-oxoacetate (CID 24722254) is ethyl 2-(2,4-difluorophenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)-2-oxoacetate is CCOC(=O)C(=O)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)-2-oxoacetate?
The InChIKey is LIXARZQLEXRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-difluorophenyl)-2-oxoacetate?
ethyl 2-(2,4-difluorophenyl)-2-oxoacetate has a molecular weight of 214.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)-2-oxoacetate is sourced from PubChem (CID 24722254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).