1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one

C9H15F3N2O3 — CID 82722110

IUPAC1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one
SMILESCC(NOCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O3/c1-7(13-17-6-9(10,11)12)8(15)14-2-4-16-5-3-14/h7,13H,2-6H2,1H3
InChIKeyHFMOHLCVQHVGJB-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.32
Rot. Bonds4

About 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one

1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one (PubChem CID 82722110) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one
PubChem CID82722110
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one
SMILESCC(NOCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O3/c1-7(13-17-6-9(10,11)12)8(15)14-2-4-16-5-3-14/h7,13H,2-6H2,1H3
InChIKeyHFMOHLCVQHVGJB-UHFFFAOYSA-N
XLogP0.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86863401
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylpropan-1-one
CID 114174239
3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 79789681
1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-methoxy-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 112684465
2-[2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-oxoethoxy]acetic acid
CID 113408335
2-(4-methylpentan-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 43372158
2-(aminomethyl)-2-ethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 115760333
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one (CID 82722110) is 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one is CC(NOCC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one?
The InChIKey is HFMOHLCVQHVGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-7(13-17-6-9(10,11)12)8(15)14-2-4-16-5-3-14/h7,13H,2-6H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one?
1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one has a molecular weight of 256.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2,2,2-trifluoroethoxyamino)propan-1-one is sourced from PubChem (CID 82722110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).