ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate

C13H16F2O4 — CID 67370552

IUPACethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c(F)cc(OCC)cc1F
InChIInChI=1S/C13H16F2O4/c1-4-18-8-6-9(14)11(10(15)7-8)12(17-3)13(16)19-5-2/h6-7,12H,4-5H2,1-3H3
InChIKeyHJXZSWDFSDNVPA-UHFFFAOYSA-N
MW274.26 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate

ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate (PubChem CID 67370552) has the molecular formula C13H16F2O4 and a molecular weight of 274.26 g/mol. Its IUPAC name is ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate
PubChem CID67370552
Molecular FormulaC13H16F2O4
Molecular Weight274.26 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c(F)cc(OCC)cc1F
InChIInChI=1S/C13H16F2O4/c1-4-18-8-6-9(14)11(10(15)7-8)12(17-3)13(16)19-5-2/h6-7,12H,4-5H2,1-3H3
InChIKeyHJXZSWDFSDNVPA-UHFFFAOYSA-N
XLogP2.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-2-(4-ethoxy-2,6-difluorophenyl)acetamide;hydrochloride
CID 69290938
ethyl 2-chloro-2-(4-ethoxy-3-fluorophenyl)acetate
CID 116863125
ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate
CID 155796862
ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
methyl 5-ethoxy-2-fluoro-3-methylbenzoate
CID 164891519
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 5-(3,4,5-trifluorophenoxy)pentanoate
CID 91655865

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate?
The IUPAC name of ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate (CID 67370552) is ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate.
What is the SMILES notation for ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate?
The canonical SMILES for ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate is CCOC(=O)C(OC)c1c(F)cc(OCC)cc1F.
What is the InChIKey of ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate?
The InChIKey is HJXZSWDFSDNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O4/c1-4-18-8-6-9(14)11(10(15)7-8)12(17-3)13(16)19-5-2/h6-7,12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate?
ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate has a molecular weight of 274.26 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxy-2,6-difluorophenyl)-2-methoxyacetate is sourced from PubChem (CID 67370552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).