bis(2,2,3,3-tetrafluoropropyl) sulfate

C6H6F8O4S — CID 2736068

IUPACbis(2,2,3,3-tetrafluoropropyl) sulfate
SMILESO=S(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6F8O4S/c7-3(8)5(11,12)1-17-19(15,16)18-2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyBWNNKSVRTCALAX-UHFFFAOYSA-N
MW326.16 g/mol
LogP2.07
Rot. Bonds8

About bis(2,2,3,3-tetrafluoropropyl) sulfate

bis(2,2,3,3-tetrafluoropropyl) sulfate (PubChem CID 2736068) has the molecular formula C6H6F8O4S and a molecular weight of 326.16 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropyl) sulfate.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropyl) sulfate
PubChem CID2736068
Molecular FormulaC6H6F8O4S
Molecular Weight326.16 g/mol
Exact Mass325.99
IUPAC Namebis(2,2,3,3-tetrafluoropropyl) sulfate
SMILESO=S(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6F8O4S/c7-3(8)5(11,12)1-17-19(15,16)18-2-6(13,14)4(9)10/h3-4H,1-2H2
InChIKeyBWNNKSVRTCALAX-UHFFFAOYSA-N
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3-tetrafluoropropyl) sulfate?
The IUPAC name of bis(2,2,3,3-tetrafluoropropyl) sulfate (CID 2736068) is bis(2,2,3,3-tetrafluoropropyl) sulfate.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropyl) sulfate?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropyl) sulfate is O=S(=O)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropyl) sulfate?
The InChIKey is BWNNKSVRTCALAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O4S/c7-3(8)5(11,12)1-17-19(15,16)18-2-6(13,14)4(9)10/h3-4H,1-2H2.
What are the key properties of bis(2,2,3,3-tetrafluoropropyl) sulfate?
bis(2,2,3,3-tetrafluoropropyl) sulfate has a molecular weight of 326.16 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropyl) sulfate is sourced from PubChem (CID 2736068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).