[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite

C8H13FINO3 — CID 121246763

IUPAC[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite
SMILESC[C@H]1C[C@H](OI)[C@H](F)CN1C(=O)CO
InChIInChI=1S/C8H13FINO3/c1-5-2-7(14-10)6(9)3-11(5)8(13)4-12/h5-7,12H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyNJQDAHULSMJBJI-XVMARJQXSA-N
MW317.10 g/mol
LogP0.67
Rot. Bonds2

About [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite

[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite (PubChem CID 121246763) has the molecular formula C8H13FINO3 and a molecular weight of 317.10 g/mol. Its IUPAC name is [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite
PubChem CID121246763
Molecular FormulaC8H13FINO3
Molecular Weight317.10 g/mol
Exact Mass316.99
IUPAC Name[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite
SMILESC[C@H]1C[C@H](OI)[C@H](F)CN1C(=O)CO
InChIInChI=1S/C8H13FINO3/c1-5-2-7(14-10)6(9)3-11(5)8(13)4-12/h5-7,12H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyNJQDAHULSMJBJI-XVMARJQXSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite?
The IUPAC name of [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite (CID 121246763) is [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite.
What is the SMILES notation for [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite?
The canonical SMILES for [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite is C[C@H]1C[C@H](OI)[C@H](F)CN1C(=O)CO.
What is the InChIKey of [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite?
The InChIKey is NJQDAHULSMJBJI-XVMARJQXSA-N. The full InChI is InChI=1S/C8H13FINO3/c1-5-2-7(14-10)6(9)3-11(5)8(13)4-12/h5-7,12H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite?
[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite has a molecular weight of 317.10 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).