(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol

C13H14F2O3 — CID 513278

IUPAC(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESC=Cc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c(F)cc1F
InChIInChI=1S/C13H14F2O3/c1-2-7-3-8(10(15)4-9(7)14)12-5-11(17)13(6-16)18-12/h2-4,11-13,16-17H,1,5-6H2/t11-,12+,13+/m0/s1
InChIKeyORTMIKLYRHDKIC-YNEHKIRRSA-N
MW256.25 g/mol
LogP1.79
Rot. Bonds3

About (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 513278) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID513278
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESC=Cc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c(F)cc1F
InChIInChI=1S/C13H14F2O3/c1-2-7-3-8(10(15)4-9(7)14)12-5-11(17)13(6-16)18-12/h2-4,11-13,16-17H,1,5-6H2/t11-,12+,13+/m0/s1
InChIKeyORTMIKLYRHDKIC-YNEHKIRRSA-N
XLogP1.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9863600

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol (CID 513278) is (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol is C=Cc1cc([C@H]2C[C@H](O)[C@@H](CO)O2)c(F)cc1F.
What is the InChIKey of (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is ORTMIKLYRHDKIC-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-2-7-3-8(10(15)4-9(7)14)12-5-11(17)13(6-16)18-12/h2-4,11-13,16-17H,1,5-6H2/t11-,12+,13+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 256.25 g/mol, XLogP of 1.79, 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-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 513278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).