(2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol

C12H15F2NO5 — CID 168862024

IUPAC(2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Oc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO5/c13-6-2-1-3-7(14)12(6)20-15-4-9(17)11(19)10(18)8(15)5-16/h1-3,8-11,16-19H,4-5H2/t8-,9+,10-,11-/m1/s1
InChIKeyPCZQGZMJCWZMDG-LMLFDSFASA-N
MW291.25 g/mol
LogP-0.98
Rot. Bonds3

About (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 168862024) has the molecular formula C12H15F2NO5 and a molecular weight of 291.25 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID168862024
Molecular FormulaC12H15F2NO5
Molecular Weight291.25 g/mol
Exact Mass291.09
IUPAC Name(2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Oc1c(F)cccc1F
InChIInChI=1S/C12H15F2NO5/c13-6-2-1-3-7(14)12(6)20-15-4-9(17)11(19)10(18)8(15)5-16/h1-3,8-11,16-19H,4-5H2/t8-,9+,10-,11-/m1/s1
InChIKeyPCZQGZMJCWZMDG-LMLFDSFASA-N
XLogP-0.98
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 168862024) is (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Oc1c(F)cccc1F.
What is the InChIKey of (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is PCZQGZMJCWZMDG-LMLFDSFASA-N. The full InChI is InChI=1S/C12H15F2NO5/c13-6-2-1-3-7(14)12(6)20-15-4-9(17)11(19)10(18)8(15)5-16/h1-3,8-11,16-19H,4-5H2/t8-,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 291.25 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-(2,6-difluorophenoxy)-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 168862024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).