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

C11H10ClF2NO3 — CID 118904156

IUPAC(3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
SMILESO=C1[C@H](O)CN(c2c(F)cc(Cl)cc2F)C[C@H]1O
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/t8-,9-/m1/s1
InChIKeyRDHIWCZWCCNNGZ-RKDXNWHRSA-N
MW277.65 g/mol
LogP0.73
Rot. Bonds1

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

(3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one (PubChem CID 118904156) has the molecular formula C11H10ClF2NO3 and a molecular weight of 277.65 g/mol. Its IUPAC name is (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one.

Molecular Properties

Compound Name(3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
PubChem CID118904156
Molecular FormulaC11H10ClF2NO3
Molecular Weight277.65 g/mol
Exact Mass277.03
IUPAC Name(3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one
SMILESO=C1[C@H](O)CN(c2c(F)cc(Cl)cc2F)C[C@H]1O
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/t8-,9-/m1/s1
InChIKeyRDHIWCZWCCNNGZ-RKDXNWHRSA-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 (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
The IUPAC name of (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one (CID 118904156) is (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one.
What is the SMILES notation for (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
The canonical SMILES for (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one is O=C1[C@H](O)CN(c2c(F)cc(Cl)cc2F)C[C@H]1O.
What is the InChIKey of (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
The InChIKey is RDHIWCZWCCNNGZ-RKDXNWHRSA-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/t8-,9-/m1/s1.
What are the key properties of (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one?
(3R,5R)-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 (3R,5R)-1-(4-chloro-2,6-difluorophenyl)-3,5-dihydroxypiperidin-4-one is sourced from PubChem (CID 118904156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).