5,5-difluoropiperidin-3-one;hydrochloride

C5H8ClF2NO — CID 155921054

IUPAC5,5-difluoropiperidin-3-one;hydrochloride
SMILESCl.O=C1CNCC(F)(F)C1
InChIInChI=1S/C5H7F2NO.ClH/c6-5(7)1-4(9)2-8-3-5;/h8H,1-3H2;1H
InChIKeyJYPVDZVABDOLPY-UHFFFAOYSA-N
MW171.57 g/mol
LogP0.61
Rot. Bonds

About 5,5-difluoropiperidin-3-one;hydrochloride

5,5-difluoropiperidin-3-one;hydrochloride (PubChem CID 155921054) has the molecular formula C5H8ClF2NO and a molecular weight of 171.57 g/mol. Its IUPAC name is 5,5-difluoropiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name5,5-difluoropiperidin-3-one;hydrochloride
PubChem CID155921054
Molecular FormulaC5H8ClF2NO
Molecular Weight171.57 g/mol
Exact Mass171.03
IUPAC Name5,5-difluoropiperidin-3-one;hydrochloride
SMILESCl.O=C1CNCC(F)(F)C1
InChIInChI=1S/C5H7F2NO.ClH/c6-5(7)1-4(9)2-8-3-5;/h8H,1-3H2;1H
InChIKeyJYPVDZVABDOLPY-UHFFFAOYSA-N
XLogP0.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.57
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropiperidin-3-one;hydrochloride?
The IUPAC name of 5,5-difluoropiperidin-3-one;hydrochloride (CID 155921054) is 5,5-difluoropiperidin-3-one;hydrochloride.
What is the SMILES notation for 5,5-difluoropiperidin-3-one;hydrochloride?
The canonical SMILES for 5,5-difluoropiperidin-3-one;hydrochloride is Cl.O=C1CNCC(F)(F)C1.
What is the InChIKey of 5,5-difluoropiperidin-3-one;hydrochloride?
The InChIKey is JYPVDZVABDOLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO.ClH/c6-5(7)1-4(9)2-8-3-5;/h8H,1-3H2;1H.
What are the key properties of 5,5-difluoropiperidin-3-one;hydrochloride?
5,5-difluoropiperidin-3-one;hydrochloride has a molecular weight of 171.57 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropiperidin-3-one;hydrochloride is sourced from PubChem (CID 155921054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).