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

C11H11F2IO3 — CID 502254

IUPAC(2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cc(I)c(F)cc2F)C[C@@H]1O
InChIInChI=1S/C11H11F2IO3/c12-6-2-7(13)8(14)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10-,11+/m0/s1
InChIKeyMMEFZKHZSTYJFA-GARJFASQSA-N
MW356.11 g/mol
LogP1.75
Rot. Bonds2

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

(2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 502254) has the molecular formula C11H11F2IO3 and a molecular weight of 356.11 g/mol. Its IUPAC name is (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID502254
Molecular FormulaC11H11F2IO3
Molecular Weight356.11 g/mol
Exact Mass355.97
IUPAC Name(2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@H](c2cc(I)c(F)cc2F)C[C@@H]1O
InChIInChI=1S/C11H11F2IO3/c12-6-2-7(13)8(14)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10-,11+/m0/s1
InChIKeyMMEFZKHZSTYJFA-GARJFASQSA-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_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
(2R,3S,5R)-5-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502242
1-(2-Deoxyribofuranosyl)-2,4-difluoro-5-methyl-benzene-5'monophosphate
CID 46937086
1,4-Anhydro-2-deoxy-1-C-(2,4-difluorophenyl)-D-erythro-pentitol, (1R)-
CID 502234
(2R,3S,5R)-5-(2,4-difluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502235
(2R,3S,5R)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)tetrahydrofuran-3-ol
CID 502236
(2R,3S,5R)-5-(5-chloro-2,4-difluoro-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502237
(2R,3S,5R)-5-(5-bromo-2,4-difluoro-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502238
1-(2-deoxy-beta-D-ribofuranosyl)-2,4-difluoro-5-iodobenzene
CID 502241
2,4-difluoro-5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]benzonitrile
CID 502243
(2R,3S,5S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502247

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol (CID 502254) is (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@H](c2cc(I)c(F)cc2F)C[C@@H]1O.
What is the InChIKey of (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is MMEFZKHZSTYJFA-GARJFASQSA-N. The full InChI is InChI=1S/C11H11F2IO3/c12-6-2-7(13)8(14)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10-,11+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(2,4-difluoro-5-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,5S)-5-(2,4-difluoro-5-iodophenyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 502254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).