4-(difluoromethylsulfonyl)piperidine;hydrochloride

C6H12ClF2NO2S — CID 154814546

IUPAC4-(difluoromethylsulfonyl)piperidine;hydrochloride
SMILESCl.O=S(=O)(C(F)F)C1CCNCC1
InChIInChI=1S/C6H11F2NO2S.ClH/c7-6(8)12(10,11)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
InChIKeyKWCXERXPAOTURP-UHFFFAOYSA-N
MW235.68 g/mol
LogP0.80
Rot. Bonds2

About 4-(difluoromethylsulfonyl)piperidine;hydrochloride

4-(difluoromethylsulfonyl)piperidine;hydrochloride (PubChem CID 154814546) has the molecular formula C6H12ClF2NO2S and a molecular weight of 235.68 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)piperidine;hydrochloride
PubChem CID154814546
Molecular FormulaC6H12ClF2NO2S
Molecular Weight235.68 g/mol
Exact Mass235.02
IUPAC Name4-(difluoromethylsulfonyl)piperidine;hydrochloride
SMILESCl.O=S(=O)(C(F)F)C1CCNCC1
InChIInChI=1S/C6H11F2NO2S.ClH/c7-6(8)12(10,11)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H
InChIKeyKWCXERXPAOTURP-UHFFFAOYSA-N
XLogP0.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)piperidine;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfonyl)piperidine;hydrochloride (CID 154814546) is 4-(difluoromethylsulfonyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfonyl)piperidine;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfonyl)piperidine;hydrochloride is Cl.O=S(=O)(C(F)F)C1CCNCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)piperidine;hydrochloride?
The InChIKey is KWCXERXPAOTURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S.ClH/c7-6(8)12(10,11)5-1-3-9-4-2-5;/h5-6,9H,1-4H2;1H.
What are the key properties of 4-(difluoromethylsulfonyl)piperidine;hydrochloride?
4-(difluoromethylsulfonyl)piperidine;hydrochloride has a molecular weight of 235.68 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)piperidine;hydrochloride is sourced from PubChem (CID 154814546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).