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

C8H12F2INO3 — CID 121246894

IUPAC[(4R)-3,3-difluoro-1-[(2R)-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-/m1/s1
InChIKeyDQVUTOHEYVKSMY-PHDIDXHHSA-N
MW335.09 g/mol
LogP0.97
Rot. Bonds2

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

[(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite (PubChem CID 121246894) has the molecular formula C8H12F2INO3 and a molecular weight of 335.09 g/mol. Its IUPAC name is [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
PubChem CID121246894
Molecular FormulaC8H12F2INO3
Molecular Weight335.09 g/mol
Exact Mass334.98
IUPAC Name[(4R)-3,3-difluoro-1-[(2R)-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-/m1/s1
InChIKeyDQVUTOHEYVKSMY-PHDIDXHHSA-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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Frequently Asked Questions

What is the IUPAC name of [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The IUPAC name of [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite (CID 121246894) is [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite.
What is the SMILES notation for [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The canonical SMILES for [(4R)-3,3-difluoro-1-[(2R)-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 [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The InChIKey is DQVUTOHEYVKSMY-PHDIDXHHSA-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-/m1/s1.
What are the key properties of [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
[(4R)-3,3-difluoro-1-[(2R)-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 [(4R)-3,3-difluoro-1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).