2,2,3,3-tetrafluoropropyl sulfate

C3H3F4O4S- — CID 101392775

IUPAC2,2,3,3-tetrafluoropropyl sulfate
SMILESO=S(=O)([O-])OCC(F)(F)C(F)F
InChIInChI=1S/C3H4F4O4S/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H,8,9,10)/p-1
InChIKeyRMARYDYEBYWWDB-UHFFFAOYSA-M
MW211.11 g/mol
LogP0.36
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl sulfate

2,2,3,3-tetrafluoropropyl sulfate (PubChem CID 101392775) has the molecular formula C3H3F4O4S- and a molecular weight of 211.11 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl sulfate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl sulfate
PubChem CID101392775
Molecular FormulaC3H3F4O4S-
Molecular Weight211.11 g/mol
Exact Mass210.97
IUPAC Name2,2,3,3-tetrafluoropropyl sulfate
SMILESO=S(=O)([O-])OCC(F)(F)C(F)F
InChIInChI=1S/C3H4F4O4S/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H,8,9,10)/p-1
InChIKeyRMARYDYEBYWWDB-UHFFFAOYSA-M
XLogP0.36
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 50.36
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

Chlorosulfurous acid, 2,2,3,3-tetrafluoropropyl ester
CID 11481313
2,2,2-Trifluoroethyl sulfurofluoridate
CID 12397780
2,2,2-Trifluoroethyl trifluoromethyl sulfate
CID 21270370
Bis(3,3,3-trifluoropropyl) sulfate
CID 87155271
2,2,3,3-Tetrafluoropropyl hydrogen sulfate
CID 12650402
1,1,1,2-Tetrafluoro-2-fluorosulfonyloxyethane
CID 174345300
2-Iodo-3,3,3-trifluoropropyl fluosulfate
CID 129812197
(Fluosulfonyloxy)hexafluoropropane
CID 129879034
1,1,1-Trifluoro-3-fluorosulfonyloxypropane
CID 178326877
Bis(2,2,3,3-tetrafluoropropyl) sulphate
CID 2736068
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) sulfate
CID 13360358

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl sulfate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl sulfate (CID 101392775) is 2,2,3,3-tetrafluoropropyl sulfate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl sulfate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl sulfate is O=S(=O)([O-])OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl sulfate?
The InChIKey is RMARYDYEBYWWDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F4O4S/c4-2(5)3(6,7)1-11-12(8,9)10/h2H,1H2,(H,8,9,10)/p-1.
What are the key properties of 2,2,3,3-tetrafluoropropyl sulfate?
2,2,3,3-tetrafluoropropyl sulfate has a molecular weight of 211.11 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl sulfate is sourced from PubChem (CID 101392775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).