(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol

C6H11F2NO2 — CID 51049977

IUPAC(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)3-1-9-2-4(10)5(3)11/h3-6,9-11H,1-2H2/t3-,4+,5+/m0/s1
InChIKeyQSMPJEGWIQSKCL-VPENINKCSA-N
MW167.15 g/mol
LogP-0.81
Rot. Bonds1

About (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol

(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol (PubChem CID 51049977) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol
PubChem CID51049977
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol
SMILESO[C@H]1[C@H](O)CNC[C@@H]1C(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)3-1-9-2-4(10)5(3)11/h3-6,9-11H,1-2H2/t3-,4+,5+/m0/s1
InChIKeyQSMPJEGWIQSKCL-VPENINKCSA-N
XLogP-0.81
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol (CID 51049977) is (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol is O[C@H]1[C@H](O)CNC[C@@H]1C(F)F.
What is the InChIKey of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol?
The InChIKey is QSMPJEGWIQSKCL-VPENINKCSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)3-1-9-2-4(10)5(3)11/h3-6,9-11H,1-2H2/t3-,4+,5+/m0/s1.
What are the key properties of (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol?
(3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol has a molecular weight of 167.15 g/mol, XLogP of -0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(difluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 51049977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).