2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol

C15H18FN3O5 — CID 59360680

IUPAC2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol
SMILESOC1COC(n2cc(COCc3ccc(F)cc3)nn2)C(O)C1O
InChIInChI=1S/C15H18FN3O5/c16-10-3-1-9(2-4-10)6-23-7-11-5-19(18-17-11)15-14(22)13(21)12(20)8-24-15/h1-5,12-15,20-22H,6-8H2
InChIKeyXZAQWVIECLYRIY-UHFFFAOYSA-N
MW339.32 g/mol
LogP-0.25
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol

2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol (PubChem CID 59360680) has the molecular formula C15H18FN3O5 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol
PubChem CID59360680
Molecular FormulaC15H18FN3O5
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol
SMILESOC1COC(n2cc(COCc3ccc(F)cc3)nn2)C(O)C1O
InChIInChI=1S/C15H18FN3O5/c16-10-3-1-9(2-4-10)6-23-7-11-5-19(18-17-11)15-14(22)13(21)12(20)8-24-15/h1-5,12-15,20-22H,6-8H2
InChIKeyXZAQWVIECLYRIY-UHFFFAOYSA-N
XLogP-0.25
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol (CID 59360680) is 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol is OC1COC(n2cc(COCc3ccc(F)cc3)nn2)C(O)C1O.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is XZAQWVIECLYRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5/c16-10-3-1-9(2-4-10)6-23-7-11-5-19(18-17-11)15-14(22)13(21)12(20)8-24-15/h1-5,12-15,20-22H,6-8H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol?
2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 339.32 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methoxymethyl]triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 59360680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).