bis(trifluoromethyl) sulfate

C2F6O4S — CID 12522436

IUPACbis(trifluoromethyl) sulfate
SMILESO=S(=O)(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C2F6O4S/c3-1(4,5)11-13(9,10)12-2(6,7)8
InChIKeyMMDWADBMLTVCDB-UHFFFAOYSA-N
MW234.07 g/mol
LogP1.30
Rot. Bonds2

About bis(trifluoromethyl) sulfate

bis(trifluoromethyl) sulfate (PubChem CID 12522436) has the molecular formula C2F6O4S and a molecular weight of 234.07 g/mol. Its IUPAC name is bis(trifluoromethyl) sulfate.

Molecular Properties

Compound Namebis(trifluoromethyl) sulfate
PubChem CID12522436
Molecular FormulaC2F6O4S
Molecular Weight234.07 g/mol
Exact Mass233.94
IUPAC Namebis(trifluoromethyl) sulfate
SMILESO=S(=O)(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C2F6O4S/c3-1(4,5)11-13(9,10)12-2(6,7)8
InChIKeyMMDWADBMLTVCDB-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethyl) sulfate?
The IUPAC name of bis(trifluoromethyl) sulfate (CID 12522436) is bis(trifluoromethyl) sulfate.
What is the SMILES notation for bis(trifluoromethyl) sulfate?
The canonical SMILES for bis(trifluoromethyl) sulfate is O=S(=O)(OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of bis(trifluoromethyl) sulfate?
The InChIKey is MMDWADBMLTVCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O4S/c3-1(4,5)11-13(9,10)12-2(6,7)8.
What are the key properties of bis(trifluoromethyl) sulfate?
bis(trifluoromethyl) sulfate has a molecular weight of 234.07 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethyl) sulfate is sourced from PubChem (CID 12522436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).