1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone

C15H17F3N2O2 — CID 91795797

IUPAC1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1cc(F)c(F)c(F)c1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C15H17F3N2O2/c16-12-5-10(6-13(17)15(12)18)7-14(21)20-8-11(9-20)19-1-3-22-4-2-19/h5-6,11H,1-4,7-9H2
InChIKeyGARLBMLNHZYSMF-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.19
Rot. Bonds3

About 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone

1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone (PubChem CID 91795797) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone
PubChem CID91795797
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone
SMILESO=C(Cc1cc(F)c(F)c(F)c1)N1CC(N2CCOCC2)C1
InChIInChI=1S/C15H17F3N2O2/c16-12-5-10(6-13(17)15(12)18)7-14(21)20-8-11(9-20)19-1-3-22-4-2-19/h5-6,11H,1-4,7-9H2
InChIKeyGARLBMLNHZYSMF-UHFFFAOYSA-N
XLogP1.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4,5-trifluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598867
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66195575
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
1-(3-morpholin-4-ylazetidin-1-yl)-2-(2-phenyltriazol-4-yl)ethanone
CID 167833562
3-(4-chlorophenyl)-1-(3-morpholin-4-ylazetidin-1-yl)-3-phenylpropan-1-one
CID 72875141
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
2-(3-chloro-4-hydroxyphenyl)-1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 91764658
2-(4-aminophenyl)-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 119899571
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
2-(3-fluorophenyl)-1-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 155848928
2-(3-ethenyl-4-fluorophenyl)-1-morpholin-4-ylethanone
CID 176516089

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone?
The IUPAC name of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone (CID 91795797) is 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone.
What is the SMILES notation for 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone?
The canonical SMILES for 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone is O=C(Cc1cc(F)c(F)c(F)c1)N1CC(N2CCOCC2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone?
The InChIKey is GARLBMLNHZYSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-12-5-10(6-13(17)15(12)18)7-14(21)20-8-11(9-20)19-1-3-22-4-2-19/h5-6,11H,1-4,7-9H2.
What are the key properties of 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone?
1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone has a molecular weight of 314.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylazetidin-1-yl)-2-(3,4,5-trifluorophenyl)ethanone is sourced from PubChem (CID 91795797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).