4-(difluoromethylsulfonyl)piperidine

C6H11F2NO2S — CID 154814547

IUPAC4-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)C1CCNCC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)5-1-3-9-4-2-5/h5-6,9H,1-4H2
InChIKeyWTWRGUJBELGTKU-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.38
Rot. Bonds2

About 4-(difluoromethylsulfonyl)piperidine

4-(difluoromethylsulfonyl)piperidine (PubChem CID 154814547) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)piperidine
PubChem CID154814547
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name4-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)C1CCNCC1
InChIInChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)5-1-3-9-4-2-5/h5-6,9H,1-4H2
InChIKeyWTWRGUJBELGTKU-UHFFFAOYSA-N
XLogP0.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)piperidine?
The IUPAC name of 4-(difluoromethylsulfonyl)piperidine (CID 154814547) is 4-(difluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-(difluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-(difluoromethylsulfonyl)piperidine is O=S(=O)(C(F)F)C1CCNCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)piperidine?
The InChIKey is WTWRGUJBELGTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8)12(10,11)5-1-3-9-4-2-5/h5-6,9H,1-4H2.
What are the key properties of 4-(difluoromethylsulfonyl)piperidine?
4-(difluoromethylsulfonyl)piperidine has a molecular weight of 199.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)piperidine is sourced from PubChem (CID 154814547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).