bis(2,2,2-trifluoroethyl) sulfate

C4H4F6O4S — CID 13360356

IUPACbis(2,2,2-trifluoroethyl) sulfate
SMILESO=S(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4F6O4S/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2
InChIKeyRFRJQKILFMRPHT-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.39
Rot. Bonds4

About bis(2,2,2-trifluoroethyl) sulfate

bis(2,2,2-trifluoroethyl) sulfate (PubChem CID 13360356) has the molecular formula C4H4F6O4S and a molecular weight of 262.13 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) sulfate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) sulfate
PubChem CID13360356
Molecular FormulaC4H4F6O4S
Molecular Weight262.13 g/mol
Exact Mass261.97
IUPAC Namebis(2,2,2-trifluoroethyl) sulfate
SMILESO=S(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H4F6O4S/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2
InChIKeyRFRJQKILFMRPHT-UHFFFAOYSA-N
XLogP1.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) sulfate?
The IUPAC name of bis(2,2,2-trifluoroethyl) sulfate (CID 13360356) is bis(2,2,2-trifluoroethyl) sulfate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) sulfate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) sulfate is O=S(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) sulfate?
The InChIKey is RFRJQKILFMRPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O4S/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2.
What are the key properties of bis(2,2,2-trifluoroethyl) sulfate?
bis(2,2,2-trifluoroethyl) sulfate has a molecular weight of 262.13 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) sulfate is sourced from PubChem (CID 13360356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).