1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid

C9H14F3NO4 — CID 135239434

IUPAC1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCOCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-6-5-10-4-3-8(6)7(2)9;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7)
InChIKeyZXWMCENCWGSPSL-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.89
Rot. Bonds

About 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid

1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 135239434) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID135239434
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCOCC1C.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-6-5-10-4-3-8(6)7(2)9;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7)
InChIKeyZXWMCENCWGSPSL-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid (CID 135239434) is 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCOCC1C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZXWMCENCWGSPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2HF3O2/c1-6-5-10-4-3-8(6)7(2)9;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7).
What are the key properties of 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 257.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135239434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).