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

C8H13FINO3 — CID 121246891

IUPAC[(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
SMILESC[C@H](O)C(=O)N1CC[C@@H](OI)[C@H](F)C1
InChIInChI=1S/C8H13FINO3/c1-5(12)8(13)11-3-2-7(14-10)6(9)4-11/h5-7,12H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyVWHDWDJNKPQSPZ-RRKCRQDMSA-N
MW317.10 g/mol
LogP0.67
Rot. Bonds2

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

[(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite (PubChem CID 121246891) has the molecular formula C8H13FINO3 and a molecular weight of 317.10 g/mol. Its IUPAC name is [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite.

Molecular Properties

Compound Name[(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
PubChem CID121246891
Molecular FormulaC8H13FINO3
Molecular Weight317.10 g/mol
Exact Mass316.99
IUPAC Name[(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
SMILESC[C@H](O)C(=O)N1CC[C@@H](OI)[C@H](F)C1
InChIInChI=1S/C8H13FINO3/c1-5(12)8(13)11-3-2-7(14-10)6(9)4-11/h5-7,12H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyVWHDWDJNKPQSPZ-RRKCRQDMSA-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 [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The IUPAC name of [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite (CID 121246891) is [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite.
What is the SMILES notation for [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The canonical SMILES for [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite is C[C@H](O)C(=O)N1CC[C@@H](OI)[C@H](F)C1.
What is the InChIKey of [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
The InChIKey is VWHDWDJNKPQSPZ-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H13FINO3/c1-5(12)8(13)11-3-2-7(14-10)6(9)4-11/h5-7,12H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite?
[(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-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 [(3R,4R)-3-fluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite is sourced from PubChem (CID 121246891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).