1-(1,1-difluoroethoxymethylsulfonyl)piperidine

C8H15F2NO3S — CID 58122787

IUPAC1-(1,1-difluoroethoxymethylsulfonyl)piperidine
SMILESCC(F)(F)OCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H15F2NO3S/c1-8(9,10)14-7-15(12,13)11-5-3-2-4-6-11/h2-7H2,1H3
InChIKeyXBHYMALLJZEEOQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.39
Rot. Bonds4

About 1-(1,1-difluoroethoxymethylsulfonyl)piperidine

1-(1,1-difluoroethoxymethylsulfonyl)piperidine (PubChem CID 58122787) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxymethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1-difluoroethoxymethylsulfonyl)piperidine
PubChem CID58122787
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name1-(1,1-difluoroethoxymethylsulfonyl)piperidine
SMILESCC(F)(F)OCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H15F2NO3S/c1-8(9,10)14-7-15(12,13)11-5-3-2-4-6-11/h2-7H2,1H3
InChIKeyXBHYMALLJZEEOQ-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1,1-Difluoroethoxy(difluoro)methyl]sulfonylpiperidine
CID 58122698
1-[Difluoromethoxy(difluoro)methyl]sulfonylpiperidine
CID 58435944
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
1-(Difluoromethoxymethylsulfonyl)piperidine
CID 58436036
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962061
1-[[Difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962062
1-[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]sulfonylpiperidine
CID 88916700
1-[2-(1,1,2,2-Tetrafluoropropoxy)ethylsulfonyl]piperidine
CID 88916711
4,4-Difluoro-1-(methylsulfonyl)piperidine
CID 89773726
3-(4,4-Difluoropiperidin-1-yl)propyl methanesulfonate
CID 90288851
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl] methanesulfonate
CID 118540616
2-(4,4-Difluoropiperidin-1-yl)ethyl methanesulfonate
CID 118647094

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxymethylsulfonyl)piperidine?
The IUPAC name of 1-(1,1-difluoroethoxymethylsulfonyl)piperidine (CID 58122787) is 1-(1,1-difluoroethoxymethylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1-difluoroethoxymethylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1-difluoroethoxymethylsulfonyl)piperidine is CC(F)(F)OCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1,1-difluoroethoxymethylsulfonyl)piperidine?
The InChIKey is XBHYMALLJZEEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c1-8(9,10)14-7-15(12,13)11-5-3-2-4-6-11/h2-7H2,1H3.
What are the key properties of 1-(1,1-difluoroethoxymethylsulfonyl)piperidine?
1-(1,1-difluoroethoxymethylsulfonyl)piperidine has a molecular weight of 243.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxymethylsulfonyl)piperidine is sourced from PubChem (CID 58122787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).