bis(1,1,2,2,2-pentafluoroethyl) sulfate

C4F10O4S — CID 87155641

IUPACbis(1,1,2,2,2-pentafluoroethyl) sulfate
SMILESO=S(=O)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O4S/c5-1(6,7)3(11,12)17-19(15,16)18-4(13,14)2(8,9)10
InChIKeyZWFIPXNXYODJRF-UHFFFAOYSA-N
MW334.09 g/mol
LogP2.57
Rot. Bonds4

About bis(1,1,2,2,2-pentafluoroethyl) sulfate

bis(1,1,2,2,2-pentafluoroethyl) sulfate (PubChem CID 87155641) has the molecular formula C4F10O4S and a molecular weight of 334.09 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethyl) sulfate.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethyl) sulfate
PubChem CID87155641
Molecular FormulaC4F10O4S
Molecular Weight334.09 g/mol
Exact Mass333.94
IUPAC Namebis(1,1,2,2,2-pentafluoroethyl) sulfate
SMILESO=S(=O)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O4S/c5-1(6,7)3(11,12)17-19(15,16)18-4(13,14)2(8,9)10
InChIKeyZWFIPXNXYODJRF-UHFFFAOYSA-N
XLogP2.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Pentafluoroethyl fluosulfate
CID 129811018
n-Heptafluoropropyl fluosulfate
CID 129812855
Bis(1,2,2-trifluoroethenyl) sulfate
CID 21896174
Bis(1,1,2,2,2-pentafluoroethyl) sulfite
CID 87155446
Bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate
CID 87155540
1,1,2,2,3,3,4,4,4-Nonafluorobutyl sulfate
CID 147860805
Lithium 1,1,2,2,2-pentafluoroethyl sulfate
CID 172763537
1,1,2,2,2-Pentafluoroethyl sulfate
CID 22673151
1,1,2,2,3,3,3-Heptafluoropropyl sulfate
CID 153862795

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) sulfate?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) sulfate (CID 87155641) is bis(1,1,2,2,2-pentafluoroethyl) sulfate.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethyl) sulfate?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethyl) sulfate is O=S(=O)(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethyl) sulfate?
The InChIKey is ZWFIPXNXYODJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O4S/c5-1(6,7)3(11,12)17-19(15,16)18-4(13,14)2(8,9)10.
What are the key properties of bis(1,1,2,2,2-pentafluoroethyl) sulfate?
bis(1,1,2,2,2-pentafluoroethyl) sulfate has a molecular weight of 334.09 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethyl) sulfate is sourced from PubChem (CID 87155641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).