[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite

C7H11FINO3 — CID 121246897

IUPAC[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
SMILESO=C(CO)N1CC[C@@H](OI)[C@H](F)C1
InChIInChI=1S/C7H11FINO3/c8-5-3-10(7(12)4-11)2-1-6(5)13-9/h5-6,11H,1-4H2/t5-,6-/m1/s1
InChIKeyYDIJRJKELHLWCB-PHDIDXHHSA-N
MW303.07 g/mol
LogP0.28
Rot. Bonds2

About [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite

[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite (PubChem CID 121246897) has the molecular formula C7H11FINO3 and a molecular weight of 303.07 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
PubChem CID121246897
Molecular FormulaC7H11FINO3
Molecular Weight303.07 g/mol
Exact Mass302.98
IUPAC Name[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
SMILESO=C(CO)N1CC[C@@H](OI)[C@H](F)C1
InChIInChI=1S/C7H11FINO3/c8-5-3-10(7(12)4-11)2-1-6(5)13-9/h5-6,11H,1-4H2/t5-,6-/m1/s1
InChIKeyYDIJRJKELHLWCB-PHDIDXHHSA-N
XLogP0.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.07
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
The IUPAC name of [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite (CID 121246897) is [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite.
What is the SMILES notation for [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
The canonical SMILES for [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite is O=C(CO)N1CC[C@@H](OI)[C@H](F)C1.
What is the InChIKey of [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
The InChIKey is YDIJRJKELHLWCB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11FINO3/c8-5-3-10(7(12)4-11)2-1-6(5)13-9/h5-6,11H,1-4H2/t5-,6-/m1/s1.
What are the key properties of [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite has a molecular weight of 303.07 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).