bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate

C6F14O4S — CID 87155540

IUPACbis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate
SMILESO=S(=O)(OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F14O4S/c7-1(8,3(11,12)13)5(17,18)23-25(21,22)24-6(19,20)2(9,10)4(14,15)16
InChIKeyJIKKHNDKPGRPQZ-UHFFFAOYSA-N
MW434.10 g/mol
LogP3.85
Rot. Bonds6

About bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate

bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate (PubChem CID 87155540) has the molecular formula C6F14O4S and a molecular weight of 434.10 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate.

Molecular Properties

Compound Namebis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate
PubChem CID87155540
Molecular FormulaC6F14O4S
Molecular Weight434.10 g/mol
Exact Mass433.93
IUPAC Namebis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate
SMILESO=S(=O)(OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F14O4S/c7-1(8,3(11,12)13)5(17,18)23-25(21,22)24-6(19,20)2(9,10)4(14,15)16
InChIKeyJIKKHNDKPGRPQZ-UHFFFAOYSA-N
XLogP3.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.10
LogP ≤ 53.85
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(1,1,2,2,3,3,3-heptafluoropropyl) sulfate?
The IUPAC name of bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate (CID 87155540) is bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate.
What is the SMILES notation for bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate?
The canonical SMILES for bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate is O=S(=O)(OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate?
The InChIKey is JIKKHNDKPGRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F14O4S/c7-1(8,3(11,12)13)5(17,18)23-25(21,22)24-6(19,20)2(9,10)4(14,15)16.
What are the key properties of bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate?
bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate has a molecular weight of 434.10 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,3,3,3-heptafluoropropyl) sulfate is sourced from PubChem (CID 87155540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).