1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine

C7H11F4NO3S — CID 58435944

IUPAC1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)OC(F)F
InChIInChI=1S/C7H11F4NO3S/c8-6(9)15-7(10,11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyXOMJDSGCPKSKMT-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.59
Rot. Bonds4

About 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine

1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine (PubChem CID 58435944) has the molecular formula C7H11F4NO3S and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine
PubChem CID58435944
Molecular FormulaC7H11F4NO3S
Molecular Weight265.23 g/mol
Exact Mass265.04
IUPAC Name1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)OC(F)F
InChIInChI=1S/C7H11F4NO3S/c8-6(9)15-7(10,11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyXOMJDSGCPKSKMT-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
N-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
1-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
1-[1,1-Difluoroethoxy(difluoro)methyl]sulfonylpiperidine
CID 58122698
1-(1,1-Difluoroethoxymethylsulfonyl)piperidine
CID 58122787
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine
CID 58240386
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
1-(Difluoromethoxymethylsulfonyl)piperidine
CID 58436036
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961980
1-[[Difluoro(trioxidanylsulfanyl)methoxy]-difluoromethyl]sulfonylpiperidine
CID 58961981
1-[[Difluoro(oxidoperoxysulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962061
1-[[Difluoro(trioxidanylsulfanyl)methoxy]methylsulfonyl]piperidine
CID 58962062

Frequently Asked Questions

What is the IUPAC name of 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine?
The IUPAC name of 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine (CID 58435944) is 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine.
What is the SMILES notation for 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine?
The canonical SMILES for 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine is O=S(=O)(N1CCCCC1)C(F)(F)OC(F)F.
What is the InChIKey of 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine?
The InChIKey is XOMJDSGCPKSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO3S/c8-6(9)15-7(10,11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2.
What are the key properties of 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine?
1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine has a molecular weight of 265.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoromethoxy(difluoro)methyl]sulfonylpiperidine is sourced from PubChem (CID 58435944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).