3,3-difluoro-1-hydroxypiperidin-4-ol

C5H9F2NO2 — CID 134533922

IUPAC3,3-difluoro-1-hydroxypiperidin-4-ol
SMILESOC1CCN(O)CC1(F)F
InChIInChI=1S/C5H9F2NO2/c6-5(7)3-8(10)2-1-4(5)9/h4,9-10H,1-3H2
InChIKeyWDMYRBDMYPKGFF-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.08
Rot. Bonds

About 3,3-difluoro-1-hydroxypiperidin-4-ol

3,3-difluoro-1-hydroxypiperidin-4-ol (PubChem CID 134533922) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 3,3-difluoro-1-hydroxypiperidin-4-ol.

Molecular Properties

Compound Name3,3-difluoro-1-hydroxypiperidin-4-ol
PubChem CID134533922
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name3,3-difluoro-1-hydroxypiperidin-4-ol
SMILESOC1CCN(O)CC1(F)F
InChIInChI=1S/C5H9F2NO2/c6-5(7)3-8(10)2-1-4(5)9/h4,9-10H,1-3H2
InChIKeyWDMYRBDMYPKGFF-UHFFFAOYSA-N
XLogP0.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-hydroxypiperidin-4-ol?
The IUPAC name of 3,3-difluoro-1-hydroxypiperidin-4-ol (CID 134533922) is 3,3-difluoro-1-hydroxypiperidin-4-ol.
What is the SMILES notation for 3,3-difluoro-1-hydroxypiperidin-4-ol?
The canonical SMILES for 3,3-difluoro-1-hydroxypiperidin-4-ol is OC1CCN(O)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-hydroxypiperidin-4-ol?
The InChIKey is WDMYRBDMYPKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c6-5(7)3-8(10)2-1-4(5)9/h4,9-10H,1-3H2.
What are the key properties of 3,3-difluoro-1-hydroxypiperidin-4-ol?
3,3-difluoro-1-hydroxypiperidin-4-ol has a molecular weight of 153.13 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-hydroxypiperidin-4-ol is sourced from PubChem (CID 134533922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).