(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol

C6H11F2NO3 — CID 11557394

IUPAC(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
InChIInChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyQAAGRPJCHPCOIN-UOWFLXDJSA-N
MW183.15 g/mol
LogP-1.69
Rot. Bonds1

About (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol

(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 11557394) has the molecular formula C6H11F2NO3 and a molecular weight of 183.15 g/mol. Its IUPAC name is (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol
PubChem CID11557394
Molecular FormulaC6H11F2NO3
Molecular Weight183.15 g/mol
Exact Mass183.07
IUPAC Name(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F
InChIInChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1
InChIKeyQAAGRPJCHPCOIN-UOWFLXDJSA-N
XLogP-1.69
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol (CID 11557394) is (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol is OC[C@H]1NC[C@@H](O)[C@@H](O)C1(F)F.
What is the InChIKey of (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is QAAGRPJCHPCOIN-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H11F2NO3/c7-6(8)4(2-10)9-1-3(11)5(6)12/h3-5,9-12H,1-2H2/t3-,4-,5-/m1/s1.
What are the key properties of (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol?
(3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 183.15 g/mol, XLogP of -1.69, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-5,5-difluoro-6-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 11557394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).