2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid

C10H8F2O4 — CID 117331897

IUPAC2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
SMILESCCOc1ccc(C(=O)C(=O)O)c(F)c1F
InChIInChI=1S/C10H8F2O4/c1-2-16-6-4-3-5(7(11)8(6)12)9(13)10(14)15/h3-4H,2H2,1H3,(H,14,15)
InChIKeyPOIQLCYJIFQBHN-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.63
Rot. Bonds4

About 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid

2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid (PubChem CID 117331897) has the molecular formula C10H8F2O4 and a molecular weight of 230.17 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
PubChem CID117331897
Molecular FormulaC10H8F2O4
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Name2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
SMILESCCOc1ccc(C(=O)C(=O)O)c(F)c1F
InChIInChI=1S/C10H8F2O4/c1-2-16-6-4-3-5(7(11)8(6)12)9(13)10(14)15/h3-4H,2H2,1H3,(H,14,15)
InChIKeyPOIQLCYJIFQBHN-UHFFFAOYSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
CID 18444833
3-amino-1-(4-ethoxy-2,3-difluorophenyl)propan-1-one
CID 117329949
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
ethyl 2-(6-bromo-3-ethoxy-2-fluorophenyl)-2-oxoacetate
CID 171368276
(E)-3-(4-ethoxy-2,3-difluorophenyl)prop-2-enoic acid
CID 46737624
3-ethoxy-2-fluorobenzoate
CID 86306838
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
4-amino-4-(4-ethoxy-2,3-difluorophenyl)butanoic acid
CID 117401243
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
2-(2-fluoro-4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117304898

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid (CID 117331897) is 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid is CCOc1ccc(C(=O)C(=O)O)c(F)c1F.
What is the InChIKey of 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid?
The InChIKey is POIQLCYJIFQBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O4/c1-2-16-6-4-3-5(7(11)8(6)12)9(13)10(14)15/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid?
2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid has a molecular weight of 230.17 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid is sourced from PubChem (CID 117331897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).