(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol

C13H13F2IO3 — CID 6479208

IUPAC(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2cc(/C=C/I)c(F)cc2F)C[C@@H]1O
InChIInChI=1S/C13H13F2IO3/c14-9-4-10(15)8(3-7(9)1-2-16)12-5-11(18)13(6-17)19-12/h1-4,11-13,17-18H,5-6H2/b2-1+/t11-,12+,13+/m0/s1
InChIKeyBIXXMOJLIZPULX-HROLJSSSSA-N
MW382.14 g/mol
LogP2.55
Rot. Bonds3

About (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 6479208) has the molecular formula C13H13F2IO3 and a molecular weight of 382.14 g/mol. Its IUPAC name is (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID6479208
Molecular FormulaC13H13F2IO3
Molecular Weight382.14 g/mol
Exact Mass381.99
IUPAC Name(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2cc(/C=C/I)c(F)cc2F)C[C@@H]1O
InChIInChI=1S/C13H13F2IO3/c14-9-4-10(15)8(3-7(9)1-2-16)12-5-11(18)13(6-17)19-12/h1-4,11-13,17-18H,5-6H2/b2-1+/t11-,12+,13+/m0/s1
InChIKeyBIXXMOJLIZPULX-HROLJSSSSA-N
XLogP2.55
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 52.55
H-Bond Donors ≤ 52
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 (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol (CID 6479208) is (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1O[C@@H](c2cc(/C=C/I)c(F)cc2F)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is BIXXMOJLIZPULX-HROLJSSSSA-N. The full InChI is InChI=1S/C13H13F2IO3/c14-9-4-10(15)8(3-7(9)1-2-16)12-5-11(18)13(6-17)19-12/h1-4,11-13,17-18H,5-6H2/b2-1+/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 382.14 g/mol, XLogP of 2.55, 3 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-5-[(E)-2-iodoethenyl]phenyl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 6479208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).