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

C10H16FN3O4 — CID 156864862

IUPAC(4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)[C@H](C(O)C(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-DIVUHBNLSA-N
MW261.25 g/mol
LogP-0.38
Rot. Bonds3

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

(4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 156864862) has the molecular formula C10H16FN3O4 and a molecular weight of 261.25 g/mol. Its IUPAC name is (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID156864862
Molecular FormulaC10H16FN3O4
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)[C@H](C(O)C(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-DIVUHBNLSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol (CID 156864862) is (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OCC(O)[C@H](C(O)C(F)n2ccnn2)O1.
What is the InChIKey of (4R)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is MJNBKLLFNYDLGJ-DIVUHBNLSA-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)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
(4R)-4-[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)-4-[2-fluoro-1-hydroxy-2-(triazol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 156864862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).