1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone

C15H20FNO3 — CID 81204295

IUPAC1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1N1CC(CO)OCC1C
InChIInChI=1S/C15H20FNO3/c1-9-4-15(13(11(3)19)5-14(9)16)17-6-12(7-18)20-8-10(17)2/h4-5,10,12,18H,6-8H2,1-3H3
InChIKeyRNEBNBOJEJJSDQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.92
Rot. Bonds3

About 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone

1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone (PubChem CID 81204295) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone
PubChem CID81204295
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(F)c(C)cc1N1CC(CO)OCC1C
InChIInChI=1S/C15H20FNO3/c1-9-4-15(13(11(3)19)5-14(9)16)17-6-12(7-18)20-8-10(17)2/h4-5,10,12,18H,6-8H2,1-3H3
InChIKeyRNEBNBOJEJJSDQ-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone (CID 81204295) is 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone is CC(=O)c1cc(F)c(C)cc1N1CC(CO)OCC1C.
What is the InChIKey of 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone?
The InChIKey is RNEBNBOJEJJSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9-4-15(13(11(3)19)5-14(9)16)17-6-12(7-18)20-8-10(17)2/h4-5,10,12,18H,6-8H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone?
1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone has a molecular weight of 281.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-4-methylphenyl]ethanone is sourced from PubChem (CID 81204295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).