ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate

C13H18F6O6 — CID 154286431

IUPACethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate
SMILESCCOC(=O)COCC(F)(F)C(F)(F)C(F)(F)COCC(=O)OCC
InChIInChI=1S/C13H18F6O6/c1-3-24-9(20)5-22-7-11(14,15)13(18,19)12(16,17)8-23-6-10(21)25-4-2/h3-8H2,1-2H3
InChIKeyFCDIDHBNRZIEPF-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.05
Rot. Bonds12

About ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate

ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate (PubChem CID 154286431) has the molecular formula C13H18F6O6 and a molecular weight of 384.27 g/mol. Its IUPAC name is ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate
PubChem CID154286431
Molecular FormulaC13H18F6O6
Molecular Weight384.27 g/mol
Exact Mass384.10
IUPAC Nameethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate
SMILESCCOC(=O)COCC(F)(F)C(F)(F)C(F)(F)COCC(=O)OCC
InChIInChI=1S/C13H18F6O6/c1-3-24-9(20)5-22-7-11(14,15)13(18,19)12(16,17)8-23-6-10(21)25-4-2/h3-8H2,1-2H3
InChIKeyFCDIDHBNRZIEPF-UHFFFAOYSA-N
XLogP2.05
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate with MolForge

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Related Compounds

ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-(2,2-difluoroethoxy)acetate
CID 82005115
methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
CID 154691532
diethyl 4,4,5,5,6,6,7,7-octafluorodecanedioate
CID 15093646
ethyl 2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-enoate
CID 139681010
ethyl 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-octadecafluoro-3-methylundecanoate
CID 139719370
ethyl 9-chloro-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononanoate
CID 14984513
ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
CID 86595203
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate?
The IUPAC name of ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate (CID 154286431) is ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate.
What is the SMILES notation for ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate?
The canonical SMILES for ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate is CCOC(=O)COCC(F)(F)C(F)(F)C(F)(F)COCC(=O)OCC.
What is the InChIKey of ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate?
The InChIKey is FCDIDHBNRZIEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O6/c1-3-24-9(20)5-22-7-11(14,15)13(18,19)12(16,17)8-23-6-10(21)25-4-2/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate?
ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate has a molecular weight of 384.27 g/mol, XLogP of 2.05, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate is sourced from PubChem (CID 154286431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).