2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid

C8H12F3NO4 — CID 86665037

IUPAC2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CCN1CCOCC1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-4-1-7-2-5-9-6-3-7;3-2(4,5)1(6)7/h4H,1-3,5-6H2;(H,6,7)
InChIKeyHQYRCKOPVWGFNI-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.15
Rot. Bonds2

About 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid

2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 86665037) has the molecular formula C8H12F3NO4 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid
PubChem CID86665037
Molecular FormulaC8H12F3NO4
Molecular Weight243.18 g/mol
Exact Mass243.07
IUPAC Name2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CCN1CCOCC1
InChIInChI=1S/C6H11NO2.C2HF3O2/c8-4-1-7-2-5-9-6-3-7;3-2(4,5)1(6)7/h4H,1-3,5-6H2;(H,6,7)
InChIKeyHQYRCKOPVWGFNI-UHFFFAOYSA-N
XLogP0.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid (CID 86665037) is 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=CCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is HQYRCKOPVWGFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2HF3O2/c8-4-1-7-2-5-9-6-3-7;3-2(4,5)1(6)7/h4H,1-3,5-6H2;(H,6,7).
What are the key properties of 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid?
2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 243.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylacetaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86665037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).