4-(trifluoromethylsulfonyl)piperidine

C6H10F3NO2S — CID 66596407

IUPAC4-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKeyIEEARDWGANWTOS-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.67
Rot. Bonds1

About 4-(trifluoromethylsulfonyl)piperidine

4-(trifluoromethylsulfonyl)piperidine (PubChem CID 66596407) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)piperidine
PubChem CID66596407
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name4-(trifluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKeyIEEARDWGANWTOS-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 4-(trifluoromethylsulfonyl)piperidine (CID 66596407) is 4-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-(trifluoromethylsulfonyl)piperidine is O=S(=O)(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfonyl)piperidine?
The InChIKey is IEEARDWGANWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)5-1-3-10-4-2-5/h5,10H,1-4H2.
What are the key properties of 4-(trifluoromethylsulfonyl)piperidine?
4-(trifluoromethylsulfonyl)piperidine has a molecular weight of 217.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 66596407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).