2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone

C19H17FN4O2 — CID 86264994

IUPAC2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H17FN4O2/c20-16-8-4-5-9-18(16)26-13-19(25)23-10-15(11-23)24-12-17(21-22-24)14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2
InChIKeyVIJFQEJPAUUHEI-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.55
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 86264994) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
PubChem CID86264994
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C19H17FN4O2/c20-16-8-4-5-9-18(16)26-13-19(25)23-10-15(11-23)24-12-17(21-22-24)14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2
InChIKeyVIJFQEJPAUUHEI-UHFFFAOYSA-N
XLogP2.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone (CID 86264994) is 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is VIJFQEJPAUUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-16-8-4-5-9-18(16)26-13-19(25)23-10-15(11-23)24-12-17(21-22-24)14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 352.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 86264994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).