1-(trifluoromethylsulfonyl)piperidine

C6H10F3NO2S — CID 11085234

IUPAC1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-4-2-1-3-5-10/h1-5H2
InChIKeyMBLHRHYLNYFCEV-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.32
Rot. Bonds1

About 1-(trifluoromethylsulfonyl)piperidine

1-(trifluoromethylsulfonyl)piperidine (PubChem CID 11085234) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)piperidine
PubChem CID11085234
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name1-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-4-2-1-3-5-10/h1-5H2
InChIKeyMBLHRHYLNYFCEV-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 1-(trifluoromethylsulfonyl)piperidine (CID 11085234) is 1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 1-(trifluoromethylsulfonyl)piperidine is O=S(=O)(N1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is MBLHRHYLNYFCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-4-2-1-3-5-10/h1-5H2.
What are the key properties of 1-(trifluoromethylsulfonyl)piperidine?
1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 217.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 11085234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).