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

C8H12F2INO3 — CID 121246761

IUPAC[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
SMILESO=C(CCO)N1CC[C@H](OI)C(F)(F)C1
InChIInChI=1S/C8H12F2INO3/c9-8(10)5-12(7(14)2-4-13)3-1-6(8)15-11/h6,13H,1-5H2/t6-/m0/s1
InChIKeyUXAYCFGAEYZSFV-LURJTMIESA-N
MW335.09 g/mol
LogP0.97
Rot. Bonds3

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

[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite (PubChem CID 121246761) has the molecular formula C8H12F2INO3 and a molecular weight of 335.09 g/mol. Its IUPAC name is [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
PubChem CID121246761
Molecular FormulaC8H12F2INO3
Molecular Weight335.09 g/mol
Exact Mass334.98
IUPAC Name[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite
SMILESO=C(CCO)N1CC[C@H](OI)C(F)(F)C1
InChIInChI=1S/C8H12F2INO3/c9-8(10)5-12(7(14)2-4-13)3-1-6(8)15-11/h6,13H,1-5H2/t6-/m0/s1
InChIKeyUXAYCFGAEYZSFV-LURJTMIESA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite?
The IUPAC name of [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite (CID 121246761) is [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite.
What is the SMILES notation for [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite?
The canonical SMILES for [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite is O=C(CCO)N1CC[C@H](OI)C(F)(F)C1.
What is the InChIKey of [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite?
The InChIKey is UXAYCFGAEYZSFV-LURJTMIESA-N. The full InChI is InChI=1S/C8H12F2INO3/c9-8(10)5-12(7(14)2-4-13)3-1-6(8)15-11/h6,13H,1-5H2/t6-/m0/s1.
What are the key properties of [(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite?
[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite has a molecular weight of 335.09 g/mol, XLogP of 0.97, 3 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-(3-hydroxypropanoyl)piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).