1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine

C8H11F6NO2S — CID 58240386

IUPAC1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H11F6NO2S/c9-6(10)7(11,12)8(13,14)18(16,17)15-4-2-1-3-5-15/h6H,1-5H2
InChIKeyUTJZOLMGCWXAEO-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.30
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine

1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine (PubChem CID 58240386) has the molecular formula C8H11F6NO2S and a molecular weight of 299.24 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine
PubChem CID58240386
Molecular FormulaC8H11F6NO2S
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H11F6NO2S/c9-6(10)7(11,12)8(13,14)18(16,17)15-4-2-1-3-5-15/h6H,1-5H2
InChIKeyUTJZOLMGCWXAEO-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine (CID 58240386) is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine is O=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine?
The InChIKey is UTJZOLMGCWXAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2S/c9-6(10)7(11,12)8(13,14)18(16,17)15-4-2-1-3-5-15/h6H,1-5H2.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine?
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine has a molecular weight of 299.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)piperidine is sourced from PubChem (CID 58240386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).