4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid

C11H17F3N2O3 — CID 126573504

IUPAC4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid
SMILESC(CN1CCOCC1)=C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c1(9-7-10-8-9)2-11-3-5-12-6-4-11;3-2(4,5)1(6)7/h1,10H,2-8H2;(H,6,7)
InChIKeyMICOGBQVXRTELR-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.48
Rot. Bonds2

About 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid

4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 126573504) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID126573504
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid
SMILESC(CN1CCOCC1)=C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c1(9-7-10-8-9)2-11-3-5-12-6-4-11;3-2(4,5)1(6)7/h1,10H,2-8H2;(H,6,7)
InChIKeyMICOGBQVXRTELR-UHFFFAOYSA-N
XLogP0.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid (CID 126573504) is 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid is C(CN1CCOCC1)=C1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is MICOGBQVXRTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2HF3O2/c1(9-7-10-8-9)2-11-3-5-12-6-4-11;3-2(4,5)1(6)7/h1,10H,2-8H2;(H,6,7).
What are the key properties of 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid?
4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 282.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-ylidene)ethyl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).