bis(1-fluoroethyl) sulfate

C4H8F2O4S — CID 87155284

IUPACbis(1-fluoroethyl) sulfate
SMILESCC(F)OS(=O)(=O)OC(C)F
InChIInChI=1S/C4H8F2O4S/c1-3(5)9-11(7,8)10-4(2)6/h3-4H,1-2H3
InChIKeyZLRFGXOVXFEQLN-UHFFFAOYSA-N
MW190.17 g/mol
LogP0.90
Rot. Bonds4

About bis(1-fluoroethyl) sulfate

bis(1-fluoroethyl) sulfate (PubChem CID 87155284) has the molecular formula C4H8F2O4S and a molecular weight of 190.17 g/mol. Its IUPAC name is bis(1-fluoroethyl) sulfate.

Molecular Properties

Compound Namebis(1-fluoroethyl) sulfate
PubChem CID87155284
Molecular FormulaC4H8F2O4S
Molecular Weight190.17 g/mol
Exact Mass190.01
IUPAC Namebis(1-fluoroethyl) sulfate
SMILESCC(F)OS(=O)(=O)OC(C)F
InChIInChI=1S/C4H8F2O4S/c1-3(5)9-11(7,8)10-4(2)6/h3-4H,1-2H3
InChIKeyZLRFGXOVXFEQLN-UHFFFAOYSA-N
XLogP0.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(1-fluoroethyl) sulfate?
The IUPAC name of bis(1-fluoroethyl) sulfate (CID 87155284) is bis(1-fluoroethyl) sulfate.
What is the SMILES notation for bis(1-fluoroethyl) sulfate?
The canonical SMILES for bis(1-fluoroethyl) sulfate is CC(F)OS(=O)(=O)OC(C)F.
What is the InChIKey of bis(1-fluoroethyl) sulfate?
The InChIKey is ZLRFGXOVXFEQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O4S/c1-3(5)9-11(7,8)10-4(2)6/h3-4H,1-2H3.
What are the key properties of bis(1-fluoroethyl) sulfate?
bis(1-fluoroethyl) sulfate has a molecular weight of 190.17 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-fluoroethyl) sulfate is sourced from PubChem (CID 87155284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).