4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one

C13H14F3NO2 — CID 10730942

IUPAC4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESCN1CCOC(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H14F3NO2/c1-17-5-6-19-11(12(17)18)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8H2,1H3
InChIKeyXQCRMYAQKALQIN-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.11
Rot. Bonds2

About 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one

4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one (PubChem CID 10730942) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
PubChem CID10730942
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESCN1CCOC(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C13H14F3NO2/c1-17-5-6-19-11(12(17)18)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8H2,1H3
InChIKeyXQCRMYAQKALQIN-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635963
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 5192579
(2S,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10540176
2-[[3-(Trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10825154
(1-Methylpiperidin-4-yl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 73356453
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
[2-(Azepan-1-yl)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 3297640
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635964
4-[(3-Methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45190269
Methyl 4-oxo-4-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}butanoate
CID 45230667
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one (CID 10730942) is 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one is CN1CCOC(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The InChIKey is XQCRMYAQKALQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-17-5-6-19-11(12(17)18)8-9-3-2-4-10(7-9)13(14,15)16/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one has a molecular weight of 273.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 10730942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).