2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone

C17H20FN3O3 — CID 71917967

IUPAC2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCn1cc(C2(C)CN(C(=O)COc3ccccc3F)CCO2)cn1
InChIInChI=1S/C17H20FN3O3/c1-17(13-9-19-20(2)10-13)12-21(7-8-24-17)16(22)11-23-15-6-4-3-5-14(15)18/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyACOWMHQOVOVJNG-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.71
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone

2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone (PubChem CID 71917967) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone
PubChem CID71917967
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone
SMILESCn1cc(C2(C)CN(C(=O)COc3ccccc3F)CCO2)cn1
InChIInChI=1S/C17H20FN3O3/c1-17(13-9-19-20(2)10-13)12-21(7-8-24-17)16(22)11-23-15-6-4-3-5-14(15)18/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyACOWMHQOVOVJNG-UHFFFAOYSA-N
XLogP1.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.71
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-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone (CID 71917967) is 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone is Cn1cc(C2(C)CN(C(=O)COc3ccccc3F)CCO2)cn1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone?
The InChIKey is ACOWMHQOVOVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-17(13-9-19-20(2)10-13)12-21(7-8-24-17)16(22)11-23-15-6-4-3-5-14(15)18/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone?
2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone has a molecular weight of 333.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 71917967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).