4-fluoro-2-(fluoromethyl)piperidine-3,5-diol

C6H11F2NO2 — CID 15221399

IUPAC4-fluoro-2-(fluoromethyl)piperidine-3,5-diol
SMILESOC1CNC(CF)C(O)C1F
InChIInChI=1S/C6H11F2NO2/c7-1-3-6(11)5(8)4(10)2-9-3/h3-6,9-11H,1-2H2
InChIKeyYPRAVXCCVSVBTO-UHFFFAOYSA-N
MW167.15 g/mol
LogP-1.01
Rot. Bonds1

About 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol

4-fluoro-2-(fluoromethyl)piperidine-3,5-diol (PubChem CID 15221399) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol.

Molecular Properties

Compound Name4-fluoro-2-(fluoromethyl)piperidine-3,5-diol
PubChem CID15221399
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name4-fluoro-2-(fluoromethyl)piperidine-3,5-diol
SMILESOC1CNC(CF)C(O)C1F
InChIInChI=1S/C6H11F2NO2/c7-1-3-6(11)5(8)4(10)2-9-3/h3-6,9-11H,1-2H2
InChIKeyYPRAVXCCVSVBTO-UHFFFAOYSA-N
XLogP-1.01
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 ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Deoxyfuconojirimycin
CID 122618
Fagomine
CID 72259
(2s,3r)-2-(Hydroxymethyl)piperidin-3-ol
CID 14659558
3-epi-Fagomine
CID 10290867
(2R,3R,4R,5S)-2-Methylpiperidine-3,4,5-triol
CID 10351835
(2R,3S,4S,5S)-2-methylpiperidine-3,4,5-triol
CID 10329420
(4S,5R)-2-Methyl-piperidine-3,4,5-triol
CID 44319887
(2R,3S,4R)-2-(hydroxymethyl)piperidine-3,4-diol
CID 10313212
(2R,3S,4R,5S)-2-methylpiperidine-3,4,5-triol
CID 10219516
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4R)-(9CI)
CID 11389465
3,4-Piperidinediol,2-(hydroxymethyl)-,(2S,3S,4S)-(9CI)
CID 12085981
(2R,3S,4S)-2-(hydroxymethyl)piperidine-3,4-diol
CID 10678391

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
The IUPAC name of 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol (CID 15221399) is 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol.
What is the SMILES notation for 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
The canonical SMILES for 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol is OC1CNC(CF)C(O)C1F.
What is the InChIKey of 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
The InChIKey is YPRAVXCCVSVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-1-3-6(11)5(8)4(10)2-9-3/h3-6,9-11H,1-2H2.
What are the key properties of 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
4-fluoro-2-(fluoromethyl)piperidine-3,5-diol has a molecular weight of 167.15 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(fluoromethyl)piperidine-3,5-diol is sourced from PubChem (CID 15221399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).