morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid

C7H10F3NO4 — CID 141083019

IUPACmorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeyVIJOAFHCCWXQNN-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.11
Rot. Bonds1

About morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid

morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid (PubChem CID 141083019) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid
PubChem CID141083019
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Namemorpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=CN1CCOCC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7)
InChIKeyVIJOAFHCCWXQNN-UHFFFAOYSA-N
XLogP0.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid (CID 141083019) is morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=CN1CCOCC1.
What is the InChIKey of morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
The InChIKey is VIJOAFHCCWXQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2HF3O2/c7-5-6-1-3-8-4-2-6;3-2(4,5)1(6)7/h5H,1-4H2;(H,6,7).
What are the key properties of morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid?
morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-4-carbaldehyde;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 141083019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).