2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

C12H21F3N2O2 — CID 102743767

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)CN(C(=O)C(C)(N)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)6-17(7-10(3,4)19-9)8(18)11(5,16)12(13,14)15/h6-7,16H2,1-5H3
InChIKeyLJBRJVZWBPSJSK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (PubChem CID 102743767) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
PubChem CID102743767
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)CN(C(=O)C(C)(N)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C12H21F3N2O2/c1-9(2)6-17(7-10(3,4)19-9)8(18)11(5,16)12(13,14)15/h6-7,16H2,1-5H3
InChIKeyLJBRJVZWBPSJSK-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one with MolForge

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 79810878
2-(aminomethyl)-2-ethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-one
CID 102743331
2-amino-3,3,3-trifluoro-2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CID 79805487
2-amino-1-(4,4-dimethylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79812146
2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107392341
4-amino-4-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743762
2,2,6,6-tetramethylmorpholine-4-carbohydrazide
CID 102745077
2-amino-3,3,3-trifluoro-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495390
2-amino-1-(1,4-diazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79796528
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743605
2-(tert-butylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102737650
3,3-dimethyl-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)butanoic acid
CID 102745109

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (CID 102743767) is 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is CC1(C)CN(C(=O)C(C)(N)C(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The InChIKey is LJBRJVZWBPSJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(2)6-17(7-10(3,4)19-9)8(18)11(5,16)12(13,14)15/h6-7,16H2,1-5H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 102743767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).