1,1,2,2,2-pentafluoroethyl sulfate

C2F5O4S- — CID 22673151

IUPAC1,1,2,2,2-pentafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O4S/c3-1(4,5)2(6,7)11-12(8,9)10/h(H,8,9,10)/p-1
InChIKeyAMZNWJHXEHONSN-UHFFFAOYSA-M
MW215.07 g/mol
LogP0.62
Rot. Bonds2

About 1,1,2,2,2-pentafluoroethyl sulfate

1,1,2,2,2-pentafluoroethyl sulfate (PubChem CID 22673151) has the molecular formula C2F5O4S- and a molecular weight of 215.07 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl sulfate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl sulfate
PubChem CID22673151
Molecular FormulaC2F5O4S-
Molecular Weight215.07 g/mol
Exact Mass214.94
IUPAC Name1,1,2,2,2-pentafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O4S/c3-1(4,5)2(6,7)11-12(8,9)10/h(H,8,9,10)/p-1
InChIKeyAMZNWJHXEHONSN-UHFFFAOYSA-M
XLogP0.62
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.07
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Perfluoroethylsulfofluoride
CID 12665877
Bis(trifluoromethyl) sulfate
CID 12522436
Pentafluoroethyl fluosulfate
CID 129811018
n-Heptafluoropropyl fluosulfate
CID 129812855
1,1,2,2,2-Pentafluoroethyl sulfite
CID 17910056
Bis(1,2,2-trifluoroethenyl) sulfate
CID 21896174
Pentafluoroethyl hydrogen sulfate
CID 22673152
Bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate
CID 87155540
Bis(1,1,2,2,2-pentafluoroethyl) sulfate
CID 87155641
Lithium 1,1,2,2,2-pentafluoroethyl sulfate
CID 172763537
1-Chlorosulfonyloxy-1,1,2,2,2-pentafluoroethane
CID 20268358
1,1,2,2-Tetrafluoroethyl sulfate
CID 151072529

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl sulfate?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl sulfate (CID 22673151) is 1,1,2,2,2-pentafluoroethyl sulfate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl sulfate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl sulfate is O=S(=O)([O-])OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl sulfate?
The InChIKey is AMZNWJHXEHONSN-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O4S/c3-1(4,5)2(6,7)11-12(8,9)10/h(H,8,9,10)/p-1.
What are the key properties of 1,1,2,2,2-pentafluoroethyl sulfate?
1,1,2,2,2-pentafluoroethyl sulfate has a molecular weight of 215.07 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl sulfate is sourced from PubChem (CID 22673151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).