ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate

C8H10F4O5 — CID 13141611

IUPACethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)OC(F)(F)C(=O)OCC
InChIInChI=1S/C8H10F4O5/c1-3-15-5(13)7(9,10)17-8(11,12)6(14)16-4-2/h3-4H2,1-2H3
InChIKeyVSXSKBZNWRORTE-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate

ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate (PubChem CID 13141611) has the molecular formula C8H10F4O5 and a molecular weight of 262.15 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
PubChem CID13141611
Molecular FormulaC8H10F4O5
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Nameethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)OC(F)(F)C(=O)OCC
InChIInChI=1S/C8H10F4O5/c1-3-15-5(13)7(9,10)17-8(11,12)6(14)16-4-2/h3-4H2,1-2H3
InChIKeyVSXSKBZNWRORTE-UHFFFAOYSA-N
XLogP1.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
CID 13141610
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
CID 100924702
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl 2,2-difluoro-2-heptoxyacetate
CID 66452205
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
1-O-ethyl 4-O-methyl 2,2,3,3-tetrafluorobutanedioate
CID 15889497
3-ethoxy-2,2-difluoro-3-oxopropanoate
CID 154057917

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate (CID 13141611) is ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate is CCOC(=O)C(F)(F)OC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate?
The InChIKey is VSXSKBZNWRORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4O5/c1-3-15-5(13)7(9,10)17-8(11,12)6(14)16-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate?
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate has a molecular weight of 262.15 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate is sourced from PubChem (CID 13141611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).