1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one

C7H11F2NO2 — CID 143011973

IUPAC1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one
SMILESCCN1C(=O)CC(F)(F)CC1O
InChIInChI=1S/C7H11F2NO2/c1-2-10-5(11)3-7(8,9)4-6(10)12/h5,11H,2-4H2,1H3
InChIKeyLTXNGHYXFCJKDH-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.58
Rot. Bonds1

About 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one

1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one (PubChem CID 143011973) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one
PubChem CID143011973
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one
SMILESCCN1C(=O)CC(F)(F)CC1O
InChIInChI=1S/C7H11F2NO2/c1-2-10-5(11)3-7(8,9)4-6(10)12/h5,11H,2-4H2,1H3
InChIKeyLTXNGHYXFCJKDH-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one?
The IUPAC name of 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one (CID 143011973) is 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one.
What is the SMILES notation for 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one?
The canonical SMILES for 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one is CCN1C(=O)CC(F)(F)CC1O.
What is the InChIKey of 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one?
The InChIKey is LTXNGHYXFCJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-2-10-5(11)3-7(8,9)4-6(10)12/h5,11H,2-4H2,1H3.
What are the key properties of 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one?
1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one has a molecular weight of 179.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-6-hydroxypiperidin-2-one is sourced from PubChem (CID 143011973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).