1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine

C8H10F6NO5S2- — CID 59672420

IUPAC1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)SOO[O-]
InChIInChI=1S/C8H11F6NO5S2/c9-6(10,7(11,12)21-20-19-16)8(13,14)22(17,18)15-4-2-1-3-5-15/h16H,1-5H2/p-1
InChIKeyYBKSESJMQIQYQG-UHFFFAOYSA-M
MW378.29 g/mol
LogP1.49
Rot. Bonds7

About 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine

1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine (PubChem CID 59672420) has the molecular formula C8H10F6NO5S2- and a molecular weight of 378.29 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine
PubChem CID59672420
Molecular FormulaC8H10F6NO5S2-
Molecular Weight378.29 g/mol
Exact Mass377.99
IUPAC Name1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)SOO[O-]
InChIInChI=1S/C8H11F6NO5S2/c9-6(10,7(11,12)21-20-19-16)8(13,14)22(17,18)15-4-2-1-3-5-15/h16H,1-5H2/p-1
InChIKeyYBKSESJMQIQYQG-UHFFFAOYSA-M
XLogP1.49
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine (CID 59672420) is 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine is O=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)SOO[O-].
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine?
The InChIKey is YBKSESJMQIQYQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11F6NO5S2/c9-6(10,7(11,12)21-20-19-16)8(13,14)22(17,18)15-4-2-1-3-5-15/h16H,1-5H2/p-1.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine?
1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine has a molecular weight of 378.29 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine is sourced from PubChem (CID 59672420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).