3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid

C10H17F3N2O4 — CID 67765016

IUPAC3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCNCCC(=O)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2.C2HF3O2/c1-9-3-2-8(11)10-4-6-12-7-5-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyWCYIMTADHZYBSR-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.09
Rot. Bonds3

About 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid

3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 67765016) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
PubChem CID67765016
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCNCCC(=O)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2.C2HF3O2/c1-9-3-2-8(11)10-4-6-12-7-5-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7)
InChIKeyWCYIMTADHZYBSR-UHFFFAOYSA-N
XLogP0.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid (CID 67765016) is 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid is CNCCC(=O)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is WCYIMTADHZYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2HF3O2/c1-9-3-2-8(11)10-4-6-12-7-5-10;3-2(4,5)1(6)7/h9H,2-7H2,1H3;(H,6,7).
What are the key properties of 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid?
3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 286.25 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-morpholin-4-ylpropan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67765016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).