methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate

C11H12F2O3 — CID 117332045

IUPACmethyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
SMILESCCc1cc(F)c(F)c(C(O)C(=O)OC)c1
InChIInChI=1S/C11H12F2O3/c1-3-6-4-7(9(13)8(12)5-6)10(14)11(15)16-2/h4-5,10,14H,3H2,1-2H3
InChIKeyVQTFFAIYJKETHJ-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate

methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate (PubChem CID 117332045) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
PubChem CID117332045
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Namemethyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
SMILESCCc1cc(F)c(F)c(C(O)C(=O)OC)c1
InChIInChI=1S/C11H12F2O3/c1-3-6-4-7(9(13)8(12)5-6)10(14)11(15)16-2/h4-5,10,14H,3H2,1-2H3
InChIKeyVQTFFAIYJKETHJ-UHFFFAOYSA-N
XLogP1.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 117344142
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
methyl 2-(3-bromo-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466749
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
methyl 2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117420063
ethyl 2-(2,3-difluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398914
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate (CID 117332045) is methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate is CCc1cc(F)c(F)c(C(O)C(=O)OC)c1.
What is the InChIKey of methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate?
The InChIKey is VQTFFAIYJKETHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-3-6-4-7(9(13)8(12)5-6)10(14)11(15)16-2/h4-5,10,14H,3H2,1-2H3.
What are the key properties of methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate?
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate has a molecular weight of 230.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 117332045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).