2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate

C6H8F6O4S — CID 139594893

IUPAC2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C6H8F6O4S/c7-4(8)1-5(9,10)2-6(11,12)3-16-17(13,14)15/h4H,1-3H2,(H,13,14,15)
InChIKeyFHLZBZHHJOUHOH-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.12
Rot. Bonds7

About 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate

2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate (PubChem CID 139594893) has the molecular formula C6H8F6O4S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate.

Molecular Properties

Compound Name2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate
PubChem CID139594893
Molecular FormulaC6H8F6O4S
Molecular Weight290.18 g/mol
Exact Mass290.00
IUPAC Name2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C6H8F6O4S/c7-4(8)1-5(9,10)2-6(11,12)3-16-17(13,14)15/h4H,1-3H2,(H,13,14,15)
InChIKeyFHLZBZHHJOUHOH-UHFFFAOYSA-N
XLogP2.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate?
The IUPAC name of 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate (CID 139594893) is 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate.
What is the SMILES notation for 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate?
The canonical SMILES for 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate is O=S(=O)(O)OCC(F)(F)CC(F)(F)CC(F)F.
What is the InChIKey of 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate?
The InChIKey is FHLZBZHHJOUHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O4S/c7-4(8)1-5(9,10)2-6(11,12)3-16-17(13,14)15/h4H,1-3H2,(H,13,14,15).
What are the key properties of 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate?
2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate has a molecular weight of 290.18 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexafluorohexyl hydrogen sulfate is sourced from PubChem (CID 139594893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).