azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid

C10H15F3N2O4 — CID 71298629

IUPACazetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CNC1)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c11-8(7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyFKKFYQFBVRGFBN-UHFFFAOYSA-N
MW284.23 g/mol
LogP-0.30
Rot. Bonds1

About azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid

azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 71298629) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID71298629
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Nameazetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(C1CNC1)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2O2.C2HF3O2/c11-8(7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyFKKFYQFBVRGFBN-UHFFFAOYSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid (CID 71298629) is azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid is O=C(C1CNC1)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FKKFYQFBVRGFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C2HF3O2/c11-8(7-5-9-6-7)10-1-3-12-4-2-10;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7).
What are the key properties of azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid?
azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 284.23 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(morpholin-4-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 71298629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).