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

C8H12F2INO3 — CID 121246905

IUPAC[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
SMILESC[C@H](O)C(=O)N1CC[C@H](OI)C(F)(F)C1
InChIInChI=1S/C8H12F2INO3/c1-5(13)7(14)12-3-2-6(15-11)8(9,10)4-12/h5-6,13H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyDQVUTOHEYVKSMY-WDSKDSINSA-N
MW335.09 g/mol
LogP0.97
Rot. Bonds2

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

[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite (PubChem CID 121246905) has the molecular formula C8H12F2INO3 and a molecular weight of 335.09 g/mol. Its IUPAC name is [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
PubChem CID121246905
Molecular FormulaC8H12F2INO3
Molecular Weight335.09 g/mol
Exact Mass334.98
IUPAC Name[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
SMILESC[C@H](O)C(=O)N1CC[C@H](OI)C(F)(F)C1
InChIInChI=1S/C8H12F2INO3/c1-5(13)7(14)12-3-2-6(15-11)8(9,10)4-12/h5-6,13H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyDQVUTOHEYVKSMY-WDSKDSINSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 50.97
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

(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 129270616
1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane
CID 145052480
[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
CID 121246761
(2S)-1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2,3-dihydroxypropan-1-one
CID 129256181
cyclopentyl-(3,3-difluoro-4-propan-2-yloxypiperidin-1-yl)methanone
CID 162278259
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
1-[(4S)-3,3-difluoro-4-(2-iodoethoxy)piperidin-1-yl]propane-1,2-dione
CID 162572350
1-(4-ethoxy-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
CID 145052655
3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
CID 130735483
[1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
CID 121246888
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442

Frequently Asked Questions

What is the IUPAC name of [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The IUPAC name of [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite (CID 121246905) is [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite.
What is the SMILES notation for [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The canonical SMILES for [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite is C[C@H](O)C(=O)N1CC[C@H](OI)C(F)(F)C1.
What is the InChIKey of [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The InChIKey is DQVUTOHEYVKSMY-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12F2INO3/c1-5(13)7(14)12-3-2-6(15-11)8(9,10)4-12/h5-6,13H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite has a molecular weight of 335.09 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).