5,5-difluoro-6-hydroxypiperidin-2-one

C5H7F2NO2 — CID 68637104

IUPAC5,5-difluoro-6-hydroxypiperidin-2-one
SMILESO=C1CCC(F)(F)C(O)N1
InChIInChI=1S/C5H7F2NO2/c6-5(7)2-1-3(9)8-4(5)10/h4,10H,1-2H2,(H,8,9)
InChIKeyNPBIWDVKXDLUCH-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.15
Rot. Bonds

About 5,5-difluoro-6-hydroxypiperidin-2-one

5,5-difluoro-6-hydroxypiperidin-2-one (PubChem CID 68637104) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 5,5-difluoro-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name5,5-difluoro-6-hydroxypiperidin-2-one
PubChem CID68637104
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name5,5-difluoro-6-hydroxypiperidin-2-one
SMILESO=C1CCC(F)(F)C(O)N1
InChIInChI=1S/C5H7F2NO2/c6-5(7)2-1-3(9)8-4(5)10/h4,10H,1-2H2,(H,8,9)
InChIKeyNPBIWDVKXDLUCH-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-6-hydroxypiperidin-2-one?
The IUPAC name of 5,5-difluoro-6-hydroxypiperidin-2-one (CID 68637104) is 5,5-difluoro-6-hydroxypiperidin-2-one.
What is the SMILES notation for 5,5-difluoro-6-hydroxypiperidin-2-one?
The canonical SMILES for 5,5-difluoro-6-hydroxypiperidin-2-one is O=C1CCC(F)(F)C(O)N1.
What is the InChIKey of 5,5-difluoro-6-hydroxypiperidin-2-one?
The InChIKey is NPBIWDVKXDLUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)2-1-3(9)8-4(5)10/h4,10H,1-2H2,(H,8,9).
What are the key properties of 5,5-difluoro-6-hydroxypiperidin-2-one?
5,5-difluoro-6-hydroxypiperidin-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-6-hydroxypiperidin-2-one is sourced from PubChem (CID 68637104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).