ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate

C11H17F3N2O4 — CID 540218

IUPACethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(NC(C)=O)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-3-20-9(18)10(11(12,13)14,15-8(2)17)16-4-6-19-7-5-16/h3-7H2,1-2H3,(H,15,17)
InChIKeyXYUOPOWSAKWWMC-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.28
Rot. Bonds4

About ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate

ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate (PubChem CID 540218) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate
PubChem CID540218
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Nameethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate
SMILESCCOC(=O)C(NC(C)=O)(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c1-3-20-9(18)10(11(12,13)14,15-8(2)17)16-4-6-19-7-5-16/h3-7H2,1-2H3,(H,15,17)
InChIKeyXYUOPOWSAKWWMC-UHFFFAOYSA-N
XLogP0.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate (CID 540218) is ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate is CCOC(=O)C(NC(C)=O)(N1CCOCC1)C(F)(F)F.
What is the InChIKey of ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate?
The InChIKey is XYUOPOWSAKWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-3-20-9(18)10(11(12,13)14,15-8(2)17)16-4-6-19-7-5-16/h3-7H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate?
ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate has a molecular weight of 298.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 540218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).