ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate

C11H12F2O4 — CID 117367210

IUPACethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(F)c1OC
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)9(14)8-6(12)4-5-7(13)10(8)16-2/h4-5,9,14H,3H2,1-2H3
InChIKeyRHFSIBSEVCRSQX-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate

ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117367210) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
PubChem CID117367210
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Nameethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(F)c1OC
InChIInChI=1S/C11H12F2O4/c1-3-17-11(15)9(14)8-6(12)4-5-7(13)10(8)16-2/h4-5,9,14H,3H2,1-2H3
InChIKeyRHFSIBSEVCRSQX-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-(4-fluoro-2,3-dimethoxy-6-methylphenyl)-2-hydroxyacetate
CID 117433354
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117404297
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
CID 117496369
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate (CID 117367210) is ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1c(F)ccc(F)c1OC.
What is the InChIKey of ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is RHFSIBSEVCRSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-3-17-11(15)9(14)8-6(12)4-5-7(13)10(8)16-2/h4-5,9,14H,3H2,1-2H3.
What are the key properties of ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate?
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 246.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117367210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).