1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C9H15F3N2O3 — CID 81203816

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCOC(CO)C1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-13-3-8(16)14-1-2-17-7(4-14)5-15/h7,13,15H,1-6H2
InChIKeyOIEYKFOCOKECQO-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.64
Rot. Bonds4

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 81203816) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID81203816
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCOC(CO)C1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)6-13-3-8(16)14-1-2-17-7(4-14)5-15/h7,13,15H,1-6H2
InChIKeyOIEYKFOCOKECQO-UHFFFAOYSA-N
XLogP-0.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 81203816) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is OIEYKFOCOKECQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)6-13-3-8(16)14-1-2-17-7(4-14)5-15/h7,13,15H,1-6H2.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 256.22 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 81203816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).