fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate

C7F16O5S — CID 123546001

IUPACfluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O5S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)29(24,25)28-23
InChIKeyDSSYFRXBODHVLD-UHFFFAOYSA-N
MW500.11 g/mol
LogP4.41
Rot. Bonds8

About fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate

fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate (PubChem CID 123546001) has the molecular formula C7F16O5S and a molecular weight of 500.11 g/mol. Its IUPAC name is fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate.

Molecular Properties

Compound Namefluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
PubChem CID123546001
Molecular FormulaC7F16O5S
Molecular Weight500.11 g/mol
Exact Mass499.92
IUPAC Namefluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C7F16O5S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)29(24,25)28-23
InChIKeyDSSYFRXBODHVLD-UHFFFAOYSA-N
XLogP4.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.11
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
The IUPAC name of fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate (CID 123546001) is fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate.
What is the SMILES notation for fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
The canonical SMILES for fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate is O=S(=O)(OF)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
The InChIKey is DSSYFRXBODHVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F16O5S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)29(24,25)28-23.
What are the key properties of fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate?
fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate has a molecular weight of 500.11 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonate is sourced from PubChem (CID 123546001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).