4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine

C23H24F3NO — CID 15893145

IUPAC4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine
SMILESFC(F)(F)/C(=C(\C=C\c1ccccc1)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C23H24F3NO/c24-23(25,26)22(27-15-17-28-18-16-27)21(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h1-11,13H,12,14-18H2/b13-11+,22-21-
InChIKeyYDZWOMFKALMYPF-UAWDQJTNSA-N
MW387.44 g/mol
LogP5.48
Rot. Bonds6

About 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine

4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine (PubChem CID 15893145) has the molecular formula C23H24F3NO and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine
PubChem CID15893145
Molecular FormulaC23H24F3NO
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine
SMILESFC(F)(F)/C(=C(\C=C\c1ccccc1)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C23H24F3NO/c24-23(25,26)22(27-15-17-28-18-16-27)21(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h1-11,13H,12,14-18H2/b13-11+,22-21-
InChIKeyYDZWOMFKALMYPF-UAWDQJTNSA-N
XLogP5.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine?
The IUPAC name of 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine (CID 15893145) is 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine.
What is the SMILES notation for 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine?
The canonical SMILES for 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine is FC(F)(F)/C(=C(\C=C\c1ccccc1)CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine?
The InChIKey is YDZWOMFKALMYPF-UAWDQJTNSA-N. The full InChI is InChI=1S/C23H24F3NO/c24-23(25,26)22(27-15-17-28-18-16-27)21(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h1-11,13H,12,14-18H2/b13-11+,22-21-.
What are the key properties of 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine?
4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine has a molecular weight of 387.44 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-1,1,1-trifluoro-5-phenyl-3-(2-phenylethyl)penta-2,4-dien-2-yl]morpholine is sourced from PubChem (CID 15893145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).