1-(difluoromethoxymethylsulfonyl)piperidine

C7H13F2NO3S — CID 58436036

IUPAC1-(difluoromethoxymethylsulfonyl)piperidine
SMILESO=S(=O)(COC(F)F)N1CCCCC1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)13-6-14(11,12)10-4-2-1-3-5-10/h7H,1-6H2
InChIKeyNNVXADAOMASURW-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.00
Rot. Bonds4

About 1-(difluoromethoxymethylsulfonyl)piperidine

1-(difluoromethoxymethylsulfonyl)piperidine (PubChem CID 58436036) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(difluoromethoxymethylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(difluoromethoxymethylsulfonyl)piperidine
PubChem CID58436036
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name1-(difluoromethoxymethylsulfonyl)piperidine
SMILESO=S(=O)(COC(F)F)N1CCCCC1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)13-6-14(11,12)10-4-2-1-3-5-10/h7H,1-6H2
InChIKeyNNVXADAOMASURW-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethylsulfonyl)piperidine?
The IUPAC name of 1-(difluoromethoxymethylsulfonyl)piperidine (CID 58436036) is 1-(difluoromethoxymethylsulfonyl)piperidine.
What is the SMILES notation for 1-(difluoromethoxymethylsulfonyl)piperidine?
The canonical SMILES for 1-(difluoromethoxymethylsulfonyl)piperidine is O=S(=O)(COC(F)F)N1CCCCC1.
What is the InChIKey of 1-(difluoromethoxymethylsulfonyl)piperidine?
The InChIKey is NNVXADAOMASURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c8-7(9)13-6-14(11,12)10-4-2-1-3-5-10/h7H,1-6H2.
What are the key properties of 1-(difluoromethoxymethylsulfonyl)piperidine?
1-(difluoromethoxymethylsulfonyl)piperidine has a molecular weight of 229.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethylsulfonyl)piperidine is sourced from PubChem (CID 58436036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).