ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate

C11H9F3O4 — CID 117409582

IUPACethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate
SMILESCCOC(=O)C(=O)c1c(F)c(F)cc(F)c1OC
InChIInChI=1S/C11H9F3O4/c1-3-18-11(16)9(15)7-8(14)5(12)4-6(13)10(7)17-2/h4H,3H2,1-2H3
InChIKeyYPDAQARKJZQOTD-UHFFFAOYSA-N
MW262.18 g/mol
LogP1.86
Rot. Bonds4

About ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate

ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate (PubChem CID 117409582) has the molecular formula C11H9F3O4 and a molecular weight of 262.18 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate
PubChem CID117409582
Molecular FormulaC11H9F3O4
Molecular Weight262.18 g/mol
Exact Mass262.05
IUPAC Nameethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate
SMILESCCOC(=O)C(=O)c1c(F)c(F)cc(F)c1OC
InChIInChI=1S/C11H9F3O4/c1-3-18-11(16)9(15)7-8(14)5(12)4-6(13)10(7)17-2/h4H,3H2,1-2H3
InChIKeyYPDAQARKJZQOTD-UHFFFAOYSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)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

ethyl 2-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)-2-oxoacetate
CID 117404166
ethyl 2-(3-bromo-5-fluoro-4-methoxyphenyl)-2-oxoacetate
CID 117490190
2-bromo-1-(2,3,5-trifluoro-6-methoxyphenyl)ethanone
CID 131380731
ethyl 2-(5-fluoro-2,3-dimethoxyphenyl)-2-oxoacetate
CID 117393511
ethyl 2-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)-2-oxoacetate
CID 117433104
ethyl 3-ethoxy-2-(2,4,5-trifluoro-3-methoxybenzoyl)pent-2-enoate
CID 175366104
ethyl 2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetate
CID 117405923
ethyl 2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117356979
ethyl 2,3,5-trifluoro-6-hydroxybenzoate
CID 131479608
ethyl 2-(2-ethoxy-3,5-difluorophenyl)-2-oxoacetate
CID 91656339
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
ethyl 2-(2-chloro-3,6-difluorophenyl)-2-oxoacetate
CID 117374756

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate (CID 117409582) is ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate is CCOC(=O)C(=O)c1c(F)c(F)cc(F)c1OC.
What is the InChIKey of ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate?
The InChIKey is YPDAQARKJZQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O4/c1-3-18-11(16)9(15)7-8(14)5(12)4-6(13)10(7)17-2/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate?
ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate has a molecular weight of 262.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2,3,5-trifluoro-6-methoxyphenyl)acetate is sourced from PubChem (CID 117409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).