(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate

C7H7F4O7S- — CID 59602062

IUPAC(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
SMILESCCOC(=O)COC(=O)C(F)(SOO[O-])C(F)(F)F
InChIInChI=1S/C7H8F4O7S/c1-2-15-4(12)3-16-5(13)6(8,7(9,10)11)19-18-17-14/h14H,2-3H2,1H3/p-1
InChIKeyHIVFBXQLFYMZOO-UHFFFAOYSA-M
MW311.19 g/mol
LogP0.19
Rot. Bonds7

About (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate

(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate (PubChem CID 59602062) has the molecular formula C7H7F4O7S- and a molecular weight of 311.19 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
PubChem CID59602062
Molecular FormulaC7H7F4O7S-
Molecular Weight311.19 g/mol
Exact Mass310.99
IUPAC Name(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
SMILESCCOC(=O)COC(=O)C(F)(SOO[O-])C(F)(F)F
InChIInChI=1S/C7H8F4O7S/c1-2-15-4(12)3-16-5(13)6(8,7(9,10)11)19-18-17-14/h14H,2-3H2,1H3/p-1
InChIKeyHIVFBXQLFYMZOO-UHFFFAOYSA-M
XLogP0.19
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexylpropyl 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate
CID 58870858
[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,3,3,3-tetrafluoro-2-(trioxidanylsulfanyl)propanoate
CID 59814208
2,3,3,4,4,5,5,6,6,6-decafluoro-2-oxidoperoxysulfanylhexanoic acid
CID 140525103
[2-(1-butylcyclohexyl)oxy-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 59814163
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethyl 2-carbonochloridoyloxyacetate
CID 13397505
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896
ethyl 2-[5-(2-ethoxy-2-oxoethoxy)-2,2,3,3,4,4-hexafluoropentoxy]acetate
CID 154286431
[2-[(2-butyl-2-bicyclo[2.2.1]heptanyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 59814241

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate (CID 59602062) is (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate is CCOC(=O)COC(=O)C(F)(SOO[O-])C(F)(F)F.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate?
The InChIKey is HIVFBXQLFYMZOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8F4O7S/c1-2-15-4(12)3-16-5(13)6(8,7(9,10)11)19-18-17-14/h14H,2-3H2,1H3/p-1.
What are the key properties of (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate?
(2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate has a molecular weight of 311.19 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2,3,3,3-tetrafluoro-2-oxidoperoxysulfanylpropanoate is sourced from PubChem (CID 59602062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).