1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine

C21H16F3N — CID 15258490

IUPAC1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine
SMILESFC(F)(F)c1cccc(CN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H16F3N/c22-21(23,24)19-13-7-8-16(14-19)15-25-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2
InChIKeyXCNXINLDAQWEOE-UHFFFAOYSA-N
MW339.36 g/mol
LogP5.74
Rot. Bonds4

About 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine

1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine (PubChem CID 15258490) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine
PubChem CID15258490
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine
SMILESFC(F)(F)c1cccc(CN=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H16F3N/c22-21(23,24)19-13-7-8-16(14-19)15-25-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2
InChIKeyXCNXINLDAQWEOE-UHFFFAOYSA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 55.74
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-[[3-(trifluoromethyl)phenyl]methyl]methanimine?
The IUPAC name of 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine (CID 15258490) is 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine is FC(F)(F)c1cccc(CN=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine?
The InChIKey is XCNXINLDAQWEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c22-21(23,24)19-13-7-8-16(14-19)15-25-20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14H,15H2.
What are the key properties of 1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine?
1,1-diphenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanimine has a molecular weight of 339.36 g/mol, XLogP of 5.74, 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-[[3-(trifluoromethyl)phenyl]methyl]methanimine is sourced from PubChem (CID 15258490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).