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

C11H13F2NO3 — CID 10705513

IUPAC(2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1cc(F)c([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C11H13F2NO3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4,14H2/t9-,10+,11+/m0/s1
InChIKeyDZVUYWQWUYGOHE-HBNTYKKESA-N
MW245.22 g/mol
LogP0.73
Rot. Bonds2

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

(2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 10705513) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID10705513
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name(2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1cc(F)c([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C11H13F2NO3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4,14H2/t9-,10+,11+/m0/s1
InChIKeyDZVUYWQWUYGOHE-HBNTYKKESA-N
XLogP0.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol (CID 10705513) is (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol is Nc1cc(F)c([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F.
What is the InChIKey of (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is DZVUYWQWUYGOHE-HBNTYKKESA-N. The full InChI is InChI=1S/C11H13F2NO3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4,14H2/t9-,10+,11+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 245.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(4-amino-2,5-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 10705513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).