1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane

C2F6O3S — CID 12665877

IUPAC1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane
SMILESO=S(=O)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C2F6O3S/c3-1(4,5)2(6,7)11-12(8,9)10
InChIKeyVRZZLIZLYQTHBM-UHFFFAOYSA-N
MW218.07 g/mol
LogP1.37
Rot. Bonds2

About 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane

1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane (PubChem CID 12665877) has the molecular formula C2F6O3S and a molecular weight of 218.07 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane
PubChem CID12665877
Molecular FormulaC2F6O3S
Molecular Weight218.07 g/mol
Exact Mass217.95
IUPAC Name1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane
SMILESO=S(=O)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C2F6O3S/c3-1(4,5)2(6,7)11-12(8,9)10
InChIKeyVRZZLIZLYQTHBM-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trifluorovinyl fluorosulfate
CID 20258132
Heptafluoropropyl sulfurofluoridate
CID 12589498
1,1,2-Trifluoro-1-fluorosulfonyloxyethane
CID 13115934
1,1,2,2-Tetrafluoroethyl fluorosulfate
CID 129806317
Pentafluoroethyl fluosulfate
CID 129811018
1,1,2,2,2-Pentafluoroethyl sulfite
CID 17910056
1,1,1,2,2,2-Hexafluoroethane;sulfuryl difluoride
CID 87247541
1-Chlorosulfonyloxy-1,1,2,2,2-pentafluoroethane
CID 20268358
1,1,2,2,2-Pentafluoroethyl sulfate
CID 22673151
Lithium 1,1,1,2,2-pentafluoro-2-sulfinatooxyethane
CID 175706382

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane?
The IUPAC name of 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane (CID 12665877) is 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane is O=S(=O)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane?
The InChIKey is VRZZLIZLYQTHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O3S/c3-1(4,5)2(6,7)11-12(8,9)10.
What are the key properties of 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane?
1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane has a molecular weight of 218.07 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-2-fluorosulfonyloxyethane is sourced from PubChem (CID 12665877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).