(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol

C11H11F2IO3 — CID 24773387

IUPAC(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc(F)c(I)c2F)C[C@@H]1O
InChIInChI=1S/C11H11F2IO3/c12-6-2-1-5(10(13)11(6)14)8-3-7(16)9(4-15)17-8/h1-2,7-9,15-16H,3-4H2/t7-,8+,9+/m0/s1
InChIKeyXOMUGEIOJPDZEJ-DJLDLDEBSA-N
MW356.11 g/mol
LogP1.75
Rot. Bonds2

About (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 24773387) has the molecular formula C11H11F2IO3 and a molecular weight of 356.11 g/mol. Its IUPAC name is (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID24773387
Molecular FormulaC11H11F2IO3
Molecular Weight356.11 g/mol
Exact Mass355.97
IUPAC Name(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2ccc(F)c(I)c2F)C[C@@H]1O
InChIInChI=1S/C11H11F2IO3/c12-6-2-1-5(10(13)11(6)14)8-3-7(16)9(4-15)17-8/h1-2,7-9,15-16H,3-4H2/t7-,8+,9+/m0/s1
InChIKeyXOMUGEIOJPDZEJ-DJLDLDEBSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,5S)-5-(5-bromo-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
CID 502251
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
CID 6479208
(2R,3S)-2-(hydroxymethyl)-5-pyren-1-yloxolan-3-ol
CID 87769450
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
CID 102506290
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
CID 23660970
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(2R,3S,4R)-6-(4-fluorophenyl)-2-(hydroxymethyl)oxane-3,4-diol
CID 101183405
(2R,3S,5S)-5-(5-chloro-1H-indol-2-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 54757675

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol (CID 24773387) is (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](c2ccc(F)c(I)c2F)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is XOMUGEIOJPDZEJ-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H11F2IO3/c12-6-2-1-5(10(13)11(6)14)8-3-7(16)9(4-15)17-8/h1-2,7-9,15-16H,3-4H2/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 356.11 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(2,4-difluoro-3-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 24773387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).