1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone

C14H18FNO3 — CID 110727667

IUPAC1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2ccc(F)cc2)C(C)CO1
InChIInChI=1S/C14H18FNO3/c1-10-8-18-11(2)7-16(10)14(17)9-19-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPTXPXPLFRVPIAS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone

1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 110727667) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID110727667
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
SMILESCC1CN(C(=O)COc2ccc(F)cc2)C(C)CO1
InChIInChI=1S/C14H18FNO3/c1-10-8-18-11(2)7-16(10)14(17)9-19-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3
InChIKeyPTXPXPLFRVPIAS-UHFFFAOYSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethoxy]benzenecarbothioamide
CID 43544825
1-(2,5-dimethylmorpholin-4-yl)-2-(2-fluorophenoxy)ethanone
CID 110727665
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110706983
2-(2-aminophenoxy)-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43544132
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-(3,5-dichlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 22264363
2-(4-chlorophenoxy)-1-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 57041886
(5S)-5-[2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazolidine-2,4-dione
CID 98764941
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
2-(4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-5-(1-hydroxyethyl)-2-methylpiperazin-1-yl]ethanone
CID 22264908

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone (CID 110727667) is 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone is CC1CN(C(=O)COc2ccc(F)cc2)C(C)CO1.
What is the InChIKey of 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is PTXPXPLFRVPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-8-18-11(2)7-16(10)14(17)9-19-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone?
1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 267.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 110727667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).