1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone

C13H15F3N2O3 — CID 97338117

IUPAC1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
SMILESC[C@@H]1CN(C(=O)COc2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C13H15F3N2O3/c1-9-7-18(5-6-20-9)12(19)8-21-11-4-2-3-10(17-11)13(14,15)16/h2-4,9H,5-8H2,1H3/t9-/m1/s1
InChIKeyMEGBKSJQZCSXOP-SECBINFHSA-N
MW304.27 g/mol
LogP1.73
Rot. Bonds3

About 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone

1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone (PubChem CID 97338117) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
PubChem CID97338117
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
SMILESC[C@@H]1CN(C(=O)COc2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C13H15F3N2O3/c1-9-7-18(5-6-20-9)12(19)8-21-11-4-2-3-10(17-11)13(14,15)16/h2-4,9H,5-8H2,1H3/t9-/m1/s1
InChIKeyMEGBKSJQZCSXOP-SECBINFHSA-N
XLogP1.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone with MolForge

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Related Compounds

2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
CID 25345417
2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 107014045
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 82808741
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
4-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]morpholine-2-carboxylic acid
CID 120526153
3-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-one
CID 135265126
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone (CID 97338117) is 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The canonical SMILES for 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone is C[C@@H]1CN(C(=O)COc2cccc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The InChIKey is MEGBKSJQZCSXOP-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-9-7-18(5-6-20-9)12(19)8-21-11-4-2-3-10(17-11)13(14,15)16/h2-4,9H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone has a molecular weight of 304.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone is sourced from PubChem (CID 97338117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).