2-(3,3-difluoropiperidin-1-yl)sulfonylethanol

C7H13F2NO3S — CID 164648515

IUPAC2-(3,3-difluoropiperidin-1-yl)sulfonylethanol
SMILESO=S(=O)(CCO)N1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)2-1-3-10(6-7)14(12,13)5-4-11/h11H,1-6H2
InChIKeyGMYAZURBKKDRCR-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.04
Rot. Bonds3

About 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol

2-(3,3-difluoropiperidin-1-yl)sulfonylethanol (PubChem CID 164648515) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)sulfonylethanol
PubChem CID164648515
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name2-(3,3-difluoropiperidin-1-yl)sulfonylethanol
SMILESO=S(=O)(CCO)N1CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)2-1-3-10(6-7)14(12,13)5-4-11/h11H,1-6H2
InChIKeyGMYAZURBKKDRCR-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol (CID 164648515) is 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol is O=S(=O)(CCO)N1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol?
The InChIKey is GMYAZURBKKDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c8-7(9)2-1-3-10(6-7)14(12,13)5-4-11/h11H,1-6H2.
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol?
2-(3,3-difluoropiperidin-1-yl)sulfonylethanol has a molecular weight of 229.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)sulfonylethanol is sourced from PubChem (CID 164648515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).