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

C15H18F3NO2 — CID 91790975

IUPAC1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCCC1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C15H18F3NO2/c1-2-13-10-19(6-7-21-13)14(20)9-11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,2,6-7,9-10H2,1H3
InChIKeyFYJDDZBQYFMROT-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.89
Rot. Bonds3

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

1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 91790975) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID91790975
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCCC1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C15H18F3NO2/c1-2-13-10-19(6-7-21-13)14(20)9-11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,2,6-7,9-10H2,1H3
InChIKeyFYJDDZBQYFMROT-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 99929489
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
2-(3-fluorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81209303
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
1-[(3S)-3-[ethyl(naphthalen-1-yl)amino]pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 68512754
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 51968428
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 70787444
1-[4-(2-methylphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 112766387
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
1-(4-acetyl-1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134061591
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 124690087

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 91790975) is 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is CCC1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is FYJDDZBQYFMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-2-13-10-19(6-7-21-13)14(20)9-11-4-3-5-12(8-11)15(16,17)18/h3-5,8,13H,2,6-7,9-10H2,1H3.
What are the key properties of 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 301.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 91790975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).