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

C5H8ClF2NO2 — CID 142699793

IUPAC5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride
SMILESCl.O=C1CCC(F)(F)C(O)N1
InChIInChI=1S/C5H7F2NO2.ClH/c6-5(7)2-1-3(9)8-4(5)10;/h4,10H,1-2H2,(H,8,9);1H
InChIKeyOQZHNUBIRHXGST-UHFFFAOYSA-N
MW187.57 g/mol
LogP0.27
Rot. Bonds

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

5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride (PubChem CID 142699793) has the molecular formula C5H8ClF2NO2 and a molecular weight of 187.57 g/mol. Its IUPAC name is 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride.

Molecular Properties

Compound Name5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride
PubChem CID142699793
Molecular FormulaC5H8ClF2NO2
Molecular Weight187.57 g/mol
Exact Mass187.02
IUPAC Name5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride
SMILESCl.O=C1CCC(F)(F)C(O)N1
InChIInChI=1S/C5H7F2NO2.ClH/c6-5(7)2-1-3(9)8-4(5)10;/h4,10H,1-2H2,(H,8,9);1H
InChIKeyOQZHNUBIRHXGST-UHFFFAOYSA-N
XLogP0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.57
LogP ≤ 50.27
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;hydrochloride?
The IUPAC name of 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride (CID 142699793) is 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride.
What is the SMILES notation for 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride?
The canonical SMILES for 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride is Cl.O=C1CCC(F)(F)C(O)N1.
What is the InChIKey of 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride?
The InChIKey is OQZHNUBIRHXGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2.ClH/c6-5(7)2-1-3(9)8-4(5)10;/h4,10H,1-2H2,(H,8,9);1H.
What are the key properties of 5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride?
5,5-difluoro-6-hydroxypiperidin-2-one;hydrochloride has a molecular weight of 187.57 g/mol, XLogP of 0.27, 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;hydrochloride is sourced from PubChem (CID 142699793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).