1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine

C8H13F4NO3S — CID 58122698

IUPAC1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine
SMILESCC(F)(F)OC(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H13F4NO3S/c1-7(9,10)16-8(11,12)17(14,15)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeySZQKFCYDZUYJJB-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.98
Rot. Bonds4

About 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine

1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine (PubChem CID 58122698) has the molecular formula C8H13F4NO3S and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine
PubChem CID58122698
Molecular FormulaC8H13F4NO3S
Molecular Weight279.25 g/mol
Exact Mass279.06
IUPAC Name1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine
SMILESCC(F)(F)OC(F)(F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H13F4NO3S/c1-7(9,10)16-8(11,12)17(14,15)13-5-3-2-4-6-13/h2-6H2,1H3
InChIKeySZQKFCYDZUYJJB-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((Trifluoromethyl)sulfonyl)piperidine
CID 11085234
N-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(1,1-difluoroethoxy)-1,1-difluoro-N,N-dihexylmethanesulfonamide
CID 58122757
1-(1,1-Difluoroethoxymethylsulfonyl)piperidine
CID 58122787
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
1-[Difluoromethoxy(difluoro)methyl]sulfonylpiperidine
CID 58435944
1-(Difluoromethoxymethylsulfonyl)piperidine
CID 58436036
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961980
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl) sulfite
CID 59611900
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl)piperidine
CID 87227498

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine?
The IUPAC name of 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine (CID 58122698) is 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine.
What is the SMILES notation for 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine?
The canonical SMILES for 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine is CC(F)(F)OC(F)(F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine?
The InChIKey is SZQKFCYDZUYJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO3S/c1-7(9,10)16-8(11,12)17(14,15)13-5-3-2-4-6-13/h2-6H2,1H3.
What are the key properties of 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine?
1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine has a molecular weight of 279.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoroethoxy(difluoro)methyl]sulfonylpiperidine is sourced from PubChem (CID 58122698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).