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

C6H11F2NO2 — CID 15221400

IUPAC(2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol
SMILESO[C@H]1[C@H](F)[C@@H](O)CN[C@@H]1CF
InChIInChI=1S/C6H11F2NO2/c7-1-3-6(11)5(8)4(10)2-9-3/h3-6,9-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyYPRAVXCCVSVBTO-JGWLITMVSA-N
MW167.15 g/mol
LogP-1.01
Rot. Bonds1

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

(2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol (PubChem CID 15221400) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol
PubChem CID15221400
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name(2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol
SMILESO[C@H]1[C@H](F)[C@@H](O)CN[C@@H]1CF
InChIInChI=1S/C6H11F2NO2/c7-1-3-6(11)5(8)4(10)2-9-3/h3-6,9-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyYPRAVXCCVSVBTO-JGWLITMVSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
The IUPAC name of (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol (CID 15221400) is (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol.
What is the SMILES notation for (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
The canonical SMILES for (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol is O[C@H]1[C@H](F)[C@@H](O)CN[C@@H]1CF.
What is the InChIKey of (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
The InChIKey is YPRAVXCCVSVBTO-JGWLITMVSA-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/t3-,4+,5-,6-/m1/s1.
What are the key properties of (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol?
(2S,3R,4R,5S)-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 (2S,3R,4R,5S)-4-fluoro-2-(fluoromethyl)piperidine-3,5-diol is sourced from PubChem (CID 15221400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).