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

C7H10F2INO3 — CID 118563694

IUPAC[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
SMILESO=C(CO)N1CCC(OI)C(F)(F)C1
InChIInChI=1S/C7H10F2INO3/c8-7(9)4-11(6(13)3-12)2-1-5(7)14-10/h5,12H,1-4H2
InChIKeyRSGXMXZYMMVXMR-UHFFFAOYSA-N
MW321.06 g/mol
LogP0.58
Rot. Bonds2

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

[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite (PubChem CID 118563694) has the molecular formula C7H10F2INO3 and a molecular weight of 321.06 g/mol. Its IUPAC name is [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
PubChem CID118563694
Molecular FormulaC7H10F2INO3
Molecular Weight321.06 g/mol
Exact Mass320.97
IUPAC Name[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite
SMILESO=C(CO)N1CCC(OI)C(F)(F)C1
InChIInChI=1S/C7H10F2INO3/c8-7(9)4-11(6(13)3-12)2-1-5(7)14-10/h5,12H,1-4H2
InChIKeyRSGXMXZYMMVXMR-UHFFFAOYSA-N
XLogP0.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-1-(4-hydroxy-1-piperidyl)ethanone
CID 6480490
2,2,2-trifluoro-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 93426876
1-(4,4-Difluoro-3-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 129968657
2,2,2-Trifluoro-1-(4-hydroxypiperidin-1-yl)ethanone
CID 15895240
1-(3,3-Difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 46177344
2,2,2-Trifluoro-1-(3-hydroxypiperidin-1-yl)ethanone
CID 58992584
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267303
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 68307518
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 68378070
(2R)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
2,2,2-trifluoro-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 93426877

Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
The IUPAC name of [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite (CID 118563694) is [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite.
What is the SMILES notation for [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
The canonical SMILES for [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite is O=C(CO)N1CCC(OI)C(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
The InChIKey is RSGXMXZYMMVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2INO3/c8-7(9)4-11(6(13)3-12)2-1-5(7)14-10/h5,12H,1-4H2.
What are the key properties of [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite?
[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite has a molecular weight of 321.06 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl] hypoiodite is sourced from PubChem (CID 118563694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).