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

C9H15F3N2O2 — CID 43089166

IUPAC1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
SMILESCC(NCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-7(13-6-9(10,11)12)8(15)14-2-4-16-5-3-14/h7,13H,2-6H2,1H3
InChIKeyQVPALKDXIGDRQU-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.39
Rot. Bonds3

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

1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one (PubChem CID 43089166) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
PubChem CID43089166
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
SMILESCC(NCC(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C9H15F3N2O2/c1-7(13-6-9(10,11)12)8(15)14-2-4-16-5-3-14/h7,13H,2-6H2,1H3
InChIKeyQVPALKDXIGDRQU-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one (CID 43089166) is 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one is CC(NCC(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
The InChIKey is QVPALKDXIGDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-7(13-6-9(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-trifluoroethylamino)propan-1-one?
1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one has a molecular weight of 240.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one is sourced from PubChem (CID 43089166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).