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

C2HF5O4S — CID 22673152

IUPAC1,1,2,2,2-pentafluoroethyl hydrogen 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)
InChIKeyAMZNWJHXEHONSN-UHFFFAOYSA-N
MW216.08 g/mol
LogP0.96
Rot. Bonds2

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

1,1,2,2,2-pentafluoroethyl hydrogen sulfate (PubChem CID 22673152) has the molecular formula C2HF5O4S and a molecular weight of 216.08 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl hydrogen sulfate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl hydrogen sulfate
PubChem CID22673152
Molecular FormulaC2HF5O4S
Molecular Weight216.08 g/mol
Exact Mass215.95
IUPAC Name1,1,2,2,2-pentafluoroethyl hydrogen 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)
InChIKeyAMZNWJHXEHONSN-UHFFFAOYSA-N
XLogP0.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propyl] hydrogen sulfate
CID 162345126
Trifluorovinylsulfuric acid
CID 87451931
Pentafluoroethyl fluosulfate
CID 129811018
1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfate
CID 14163497
1,1,2,2,2-Pentafluoroethyl hydrogen sulfite
CID 17910057
(1,1,2,2-Tetrafluoro-2-sulfooxyethyl) hydrogen sulfate
CID 87509372
Perfluoropropyl hydrogen sulfate
CID 87623535
1,1,3,3,3-Pentafluoropropyl hydrogen sulfate
CID 87624899
1,1,2,2-Tetrafluoroethyl hydrogen sulfate
CID 140103257
1,1,1,2,3,3,3-Heptafluoropropan-2-yl hydrogen sulfate
CID 151653514
1,1,2,2,3,3,3-Heptafluoropropoxy hydrogen sulfate
CID 172831255
1,1,2,2,2-Pentafluoroethyl sulfate
CID 22673151

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl hydrogen sulfate?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl hydrogen sulfate (CID 22673152) is 1,1,2,2,2-pentafluoroethyl hydrogen sulfate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl hydrogen sulfate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl hydrogen sulfate is O=S(=O)(O)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl hydrogen sulfate?
The InChIKey is AMZNWJHXEHONSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O4S/c3-1(4,5)2(6,7)11-12(8,9)10/h(H,8,9,10).
What are the key properties of 1,1,2,2,2-pentafluoroethyl hydrogen sulfate?
1,1,2,2,2-pentafluoroethyl hydrogen sulfate has a molecular weight of 216.08 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl hydrogen sulfate is sourced from PubChem (CID 22673152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).