4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine

C26H24F3NO — CID 68901591

IUPAC4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine
SMILESFC(F)(F)c1ccccc1C=C(c1ccccc1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H24F3NO/c27-26(28,29)24-14-8-7-13-22(24)17-23(21-11-5-2-6-12-21)25-19-30(15-16-31-25)18-20-9-3-1-4-10-20/h1-14,17,25H,15-16,18-19H2
InChIKeyLDWKYRYEYUIHEN-UHFFFAOYSA-N
MW423.48 g/mol
LogP6.15
Rot. Bonds5

About 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine

4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine (PubChem CID 68901591) has the molecular formula C26H24F3NO and a molecular weight of 423.48 g/mol. Its IUPAC name is 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine
PubChem CID68901591
Molecular FormulaC26H24F3NO
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine
SMILESFC(F)(F)c1ccccc1C=C(c1ccccc1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C26H24F3NO/c27-26(28,29)24-14-8-7-13-22(24)17-23(21-11-5-2-6-12-21)25-19-30(15-16-31-25)18-20-9-3-1-4-10-20/h1-14,17,25H,15-16,18-19H2
InChIKeyLDWKYRYEYUIHEN-UHFFFAOYSA-N
XLogP6.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine?
The IUPAC name of 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine (CID 68901591) is 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine?
The canonical SMILES for 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine is FC(F)(F)c1ccccc1C=C(c1ccccc1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine?
The InChIKey is LDWKYRYEYUIHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3NO/c27-26(28,29)24-14-8-7-13-22(24)17-23(21-11-5-2-6-12-21)25-19-30(15-16-31-25)18-20-9-3-1-4-10-20/h1-14,17,25H,15-16,18-19H2.
What are the key properties of 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine?
4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine has a molecular weight of 423.48 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine is sourced from PubChem (CID 68901591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).