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

C9H13F6NO4S2 — CID 59524591

IUPAC1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine
SMILESCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H13F6NO4S2/c1-21(17,18)8(12,13)7(10,11)9(14,15)22(19,20)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyMIUQWSMXVDGRQG-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.67
Rot. Bonds5

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

1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine (PubChem CID 59524591) has the molecular formula C9H13F6NO4S2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine
PubChem CID59524591
Molecular FormulaC9H13F6NO4S2
Molecular Weight377.33 g/mol
Exact Mass377.02
IUPAC Name1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine
SMILESCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H13F6NO4S2/c1-21(17,18)8(12,13)7(10,11)9(14,15)22(19,20)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyMIUQWSMXVDGRQG-UHFFFAOYSA-N
XLogP1.67
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.67
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 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine (CID 59524591) is 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine is CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine?
The InChIKey is MIUQWSMXVDGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO4S2/c1-21(17,18)8(12,13)7(10,11)9(14,15)22(19,20)16-5-3-2-4-6-16/h2-6H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine?
1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine has a molecular weight of 377.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine is sourced from PubChem (CID 59524591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).