1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one

C11H10ClF2NO3 — CID 118904153

IUPAC1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
SMILESO=C1C(O)CN(c2c(F)cc(Cl)cc2F)CC1O
InChIInChI=1S/C11H10ClF2NO3/c12-5-1-6(13)10(7(14)2-5)15-3-8(16)11(18)9(17)4-15/h1-2,8-9,16-17H,3-4H2
InChIKeyRDHIWCZWCCNNGZ-UHFFFAOYSA-N
MW277.65 g/mol
LogP0.73
Rot. Bonds1

About 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one

1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one (PubChem CID 118904153) has the molecular formula C11H10ClF2NO3 and a molecular weight of 277.65 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
PubChem CID118904153
Molecular FormulaC11H10ClF2NO3
Molecular Weight277.65 g/mol
Exact Mass277.03
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
SMILESO=C1C(O)CN(c2c(F)cc(Cl)cc2F)CC1O
InChIInChI=1S/C11H10ClF2NO3/c12-5-1-6(13)10(7(14)2-5)15-3-8(16)11(18)9(17)4-15/h1-2,8-9,16-17H,3-4H2
InChIKeyRDHIWCZWCCNNGZ-UHFFFAOYSA-N
XLogP0.73
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.65
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one (CID 118904153) is 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one is O=C1C(O)CN(c2c(F)cc(Cl)cc2F)CC1O.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
The InChIKey is RDHIWCZWCCNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO3/c12-5-1-6(13)10(7(14)2-5)15-3-8(16)11(18)9(17)4-15/h1-2,8-9,16-17H,3-4H2.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one has a molecular weight of 277.65 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one is sourced from PubChem (CID 118904153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).