2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

C11H19F3N2O2 — CID 78958244

IUPAC2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CNCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H19F3N2O2/c1-8-5-16(7-10(2,3)18-8)9(17)4-15-6-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyCYKXNTZXUNHVTB-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.16
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone

2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (PubChem CID 78958244) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
PubChem CID78958244
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CNCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H19F3N2O2/c1-8-5-16(7-10(2,3)18-8)9(17)4-15-6-11(12,13)14/h8,15H,4-7H2,1-3H3
InChIKeyCYKXNTZXUNHVTB-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone (CID 78958244) is 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CNCC(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
The InChIKey is CYKXNTZXUNHVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8-5-16(7-10(2,3)18-8)9(17)4-15-6-11(12,13)14/h8,15H,4-7H2,1-3H3.
What are the key properties of 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone?
2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone has a molecular weight of 268.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 78958244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).