1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone

C14H16F3NO2 — CID 50951362

IUPAC1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO2/c1-10(19)18-5-6-20-13(9-18)8-11-3-2-4-12(7-11)14(15,16)17/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyYKKLJPSTQZFIIZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.50
Rot. Bonds2

About 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone

1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone (PubChem CID 50951362) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
PubChem CID50951362
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H16F3NO2/c1-10(19)18-5-6-20-13(9-18)8-11-3-2-4-12(7-11)14(15,16)17/h2-4,7,13H,5-6,8-9H2,1H3
InChIKeyYKKLJPSTQZFIIZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.50
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
(2S,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10540176
2-[[3-(Trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10825154
Triethylamine, 2-((m-(trifluoromethyl)phenethyl)oxy)-
CID 213808
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 52113406
(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635964
4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10730942
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
2-{2-[3-(Trifluoromethyl)benzyl]-4-morpholinyl}acetamide
CID 56872369
1-(2-Oxo-2-{2-[3-(trifluoromethyl)benzyl]-4-morpholinyl}ethyl)-2-pyrrolidinone
CID 45174730
4-[2-(3-Fluorobenzyl)-4-morpholinyl]-4-oxobutanamide
CID 45185870

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone (CID 50951362) is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
The InChIKey is YKKLJPSTQZFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-10(19)18-5-6-20-13(9-18)8-11-3-2-4-12(7-11)14(15,16)17/h2-4,7,13H,5-6,8-9H2,1H3.
What are the key properties of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone?
1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone has a molecular weight of 287.28 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 50951362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).