1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine

C22H16F3N — CID 102082770

IUPAC1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=C/N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H16F3N/c23-22(24,25)20-13-11-17(12-14-20)15-16-26-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H/b16-15+
InChIKeyJPTUZOIXJOPAAB-FOCLMDBBSA-N
MW351.37 g/mol
LogP6.21
Rot. Bonds4

About 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine

1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine (PubChem CID 102082770) has the molecular formula C22H16F3N and a molecular weight of 351.37 g/mol. Its IUPAC name is 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
PubChem CID102082770
Molecular FormulaC22H16F3N
Molecular Weight351.37 g/mol
Exact Mass351.12
IUPAC Name1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=C/N=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H16F3N/c23-22(24,25)20-13-11-17(12-14-20)15-16-26-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H/b16-15+
InChIKeyJPTUZOIXJOPAAB-FOCLMDBBSA-N
XLogP6.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine (CID 102082770) is 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine is FC(F)(F)c1ccc(/C=C/N=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine?
The InChIKey is JPTUZOIXJOPAAB-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H16F3N/c23-22(24,25)20-13-11-17(12-14-20)15-16-26-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H/b16-15+.
What are the key properties of 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine?
1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine has a molecular weight of 351.37 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]methanimine is sourced from PubChem (CID 102082770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).