1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one

C11H10ClF2NO2 — CID 118904053

IUPAC1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2c(F)cc(Cl)cc2F)CC1O
InChIInChI=1S/C11H10ClF2NO2/c12-6-3-7(13)11(8(14)4-6)15-2-1-9(16)10(17)5-15/h3-4,10,17H,1-2,5H2
InChIKeyJWHFQDFVURPRII-UHFFFAOYSA-N
MW261.65 g/mol
LogP1.76
Rot. Bonds1

About 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one

1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one (PubChem CID 118904053) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one
PubChem CID118904053
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one
SMILESO=C1CCN(c2c(F)cc(Cl)cc2F)CC1O
InChIInChI=1S/C11H10ClF2NO2/c12-6-3-7(13)11(8(14)4-6)15-2-1-9(16)10(17)5-15/h3-4,10,17H,1-2,5H2
InChIKeyJWHFQDFVURPRII-UHFFFAOYSA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one (CID 118904053) is 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one is O=C1CCN(c2c(F)cc(Cl)cc2F)CC1O.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one?
The InChIKey is JWHFQDFVURPRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-6-3-7(13)11(8(14)4-6)15-2-1-9(16)10(17)5-15/h3-4,10,17H,1-2,5H2.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one?
1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one has a molecular weight of 261.65 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-3-hydroxypiperidin-4-one is sourced from PubChem (CID 118904053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).