2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone

C8H13F3N2O2 — CID 168940341

IUPAC2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCNCC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c1-12-4-7(14)13-2-3-15-6(5-13)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyOXIARWOBIRTJRM-UHFFFAOYSA-N
MW226.20 g/mol
LogP-0.00
Rot. Bonds2

About 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone

2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 168940341) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID168940341
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESCNCC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3N2O2/c1-12-4-7(14)13-2-3-15-6(5-13)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyOXIARWOBIRTJRM-UHFFFAOYSA-N
XLogP-0.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 56877860
1-[(3R)-3-(1,1-difluoroethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 129496940
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
2-(methylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757306
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 168940341) is 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone is CNCC(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is OXIARWOBIRTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-12-4-7(14)13-2-3-15-6(5-13)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 226.20 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 168940341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).