1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

C7H11F5N2O2S — CID 82816995

IUPAC1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)C(F)F
InChIInChI=1S/C7H11F5N2O2S/c8-6(9)17(15,16)14-4-1-2-5(13-3-4)7(10,11)12/h4-6,13-14H,1-3H2
InChIKeyUUPPNWCFYOAJPX-UHFFFAOYSA-N
MW282.23 g/mol
LogP0.81
Rot. Bonds3

About 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 82816995) has the molecular formula C7H11F5N2O2S and a molecular weight of 282.23 g/mol. Its IUPAC name is 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
PubChem CID82816995
Molecular FormulaC7H11F5N2O2S
Molecular Weight282.23 g/mol
Exact Mass282.05
IUPAC Name1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESO=S(=O)(NC1CCC(C(F)(F)F)NC1)C(F)F
InChIInChI=1S/C7H11F5N2O2S/c8-6(9)17(15,16)14-4-1-2-5(13-3-4)7(10,11)12/h4-6,13-14H,1-3H2
InChIKeyUUPPNWCFYOAJPX-UHFFFAOYSA-N
XLogP0.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (CID 82816995) is 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is O=S(=O)(NC1CCC(C(F)(F)F)NC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is UUPPNWCFYOAJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O2S/c8-6(9)17(15,16)14-4-1-2-5(13-3-4)7(10,11)12/h4-6,13-14H,1-3H2.
What are the key properties of 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 282.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 82816995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).