1,1,2,2-tetrafluoroethyl sulfate

C2HF4O4S- — CID 151072529

IUPAC1,1,2,2-tetrafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)(F)C(F)F
InChIInChI=1S/C2H2F4O4S/c3-1(4)2(5,6)10-11(7,8)9/h1H,(H,7,8,9)/p-1
InChIKeyMIKVVWJSUJSOFR-UHFFFAOYSA-M
MW197.09 g/mol
LogP0.32
Rot. Bonds3

About 1,1,2,2-tetrafluoroethyl sulfate

1,1,2,2-tetrafluoroethyl sulfate (PubChem CID 151072529) has the molecular formula C2HF4O4S- and a molecular weight of 197.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoroethyl sulfate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoroethyl sulfate
PubChem CID151072529
Molecular FormulaC2HF4O4S-
Molecular Weight197.09 g/mol
Exact Mass196.95
IUPAC Name1,1,2,2-tetrafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)(F)C(F)F
InChIInChI=1S/C2H2F4O4S/c3-1(4)2(5,6)10-11(7,8)9/h1H,(H,7,8,9)/p-1
InChIKeyMIKVVWJSUJSOFR-UHFFFAOYSA-M
XLogP0.32
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.09
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoroethyl sulfate?
The IUPAC name of 1,1,2,2-tetrafluoroethyl sulfate (CID 151072529) is 1,1,2,2-tetrafluoroethyl sulfate.
What is the SMILES notation for 1,1,2,2-tetrafluoroethyl sulfate?
The canonical SMILES for 1,1,2,2-tetrafluoroethyl sulfate is O=S(=O)([O-])OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoroethyl sulfate?
The InChIKey is MIKVVWJSUJSOFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4O4S/c3-1(4)2(5,6)10-11(7,8)9/h1H,(H,7,8,9)/p-1.
What are the key properties of 1,1,2,2-tetrafluoroethyl sulfate?
1,1,2,2-tetrafluoroethyl sulfate has a molecular weight of 197.09 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoroethyl sulfate is sourced from PubChem (CID 151072529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).