2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one

C15H17FN4O2 — CID 75473392

IUPAC2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C15H17FN4O2/c1-15(2,22-13-5-3-11(16)4-6-13)14(21)19-9-12(10-19)20-8-7-17-18-20/h3-8,12H,9-10H2,1-2H3
InChIKeyLAVLQGOFXYDVES-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one

2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one (PubChem CID 75473392) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
PubChem CID75473392
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C15H17FN4O2/c1-15(2,22-13-5-3-11(16)4-6-13)14(21)19-9-12(10-19)20-8-7-17-18-20/h3-8,12H,9-10H2,1-2H3
InChIKeyLAVLQGOFXYDVES-UHFFFAOYSA-N
XLogP1.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one (CID 75473392) is 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one is CC(C)(Oc1ccc(F)cc1)C(=O)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
The InChIKey is LAVLQGOFXYDVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-15(2,22-13-5-3-11(16)4-6-13)14(21)19-9-12(10-19)20-8-7-17-18-20/h3-8,12H,9-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one has a molecular weight of 304.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 75473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).