ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate

C12H14F2O4 — CID 117404297

IUPACethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(COC)c1F
InChIInChI=1S/C12H14F2O4/c1-3-18-12(16)11(15)9-8(13)5-4-7(6-17-2)10(9)14/h4-5,11,15H,3,6H2,1-2H3
InChIKeyGVPKTIVLWXGYSU-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate

ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate (PubChem CID 117404297) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
PubChem CID117404297
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Nameethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(F)ccc(COC)c1F
InChIInChI=1S/C12H14F2O4/c1-3-18-12(16)11(15)9-8(13)5-4-7(6-17-2)10(9)14/h4-5,11,15H,3,6H2,1-2H3
InChIKeyGVPKTIVLWXGYSU-UHFFFAOYSA-N
XLogP1.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-(2,6-difluoro-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117398911
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
3-amino-2-[2,6-difluoro-3-(methoxymethyl)phenyl]propanoic acid
CID 117364248
ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117487970
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
CID 117496369
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate (CID 117404297) is ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1c(F)ccc(COC)c1F.
What is the InChIKey of ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate?
The InChIKey is GVPKTIVLWXGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O4/c1-3-18-12(16)11(15)9-8(13)5-4-7(6-17-2)10(9)14/h4-5,11,15H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate has a molecular weight of 260.24 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,6-difluoro-3-(methoxymethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117404297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).