(4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol

C10H16FN3O4 — CID 159585115

IUPAC(4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OC[C@@H](O)[C@H]([C@@H](O)[C@@H](F)n2ccnn2)O1
InChIInChI=1S/C10H16FN3O4/c1-10(2)17-5-6(15)8(18-10)7(16)9(11)14-4-3-12-13-14/h3-4,6-9,15-16H,5H2,1-2H3/t6-,7-,8-,9+/m1/s1
InChIKeyMJNBKLLFNYDLGJ-BGZDPUMWSA-N
MW261.25 g/mol
LogP-0.38
Rot. Bonds3

About (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol

(4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 159585115) has the molecular formula C10H16FN3O4 and a molecular weight of 261.25 g/mol. Its IUPAC name is (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID159585115
Molecular FormulaC10H16FN3O4
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OC[C@@H](O)[C@H]([C@@H](O)[C@@H](F)n2ccnn2)O1
InChIInChI=1S/C10H16FN3O4/c1-10(2)17-5-6(15)8(18-10)7(16)9(11)14-4-3-12-13-14/h3-4,6-9,15-16H,5H2,1-2H3/t6-,7-,8-,9+/m1/s1
InChIKeyMJNBKLLFNYDLGJ-BGZDPUMWSA-N
XLogP-0.38
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol (CID 159585115) is (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OC[C@@H](O)[C@H]([C@@H](O)[C@@H](F)n2ccnn2)O1.
What is the InChIKey of (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is MJNBKLLFNYDLGJ-BGZDPUMWSA-N. The full InChI is InChI=1S/C10H16FN3O4/c1-10(2)17-5-6(15)8(18-10)7(16)9(11)14-4-3-12-13-14/h3-4,6-9,15-16H,5H2,1-2H3/t6-,7-,8-,9+/m1/s1.
What are the key properties of (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
(4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 261.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(1R,2R)-2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 159585115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).