1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine

C21H15F3N2 — CID 2460827

IUPAC1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
SMILESFC(F)(F)c1ccccc1C=NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F3N2/c22-21(23,24)19-14-8-7-13-18(19)15-25-26-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H
InChIKeyXHVWNXPOZIOJNI-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.58
Rot. Bonds4

About 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine

1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine (PubChem CID 2460827) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
PubChem CID2460827
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
SMILESFC(F)(F)c1ccccc1C=NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15F3N2/c22-21(23,24)19-14-8-7-13-18(19)15-25-26-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H
InChIKeyXHVWNXPOZIOJNI-UHFFFAOYSA-N
XLogP5.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine?
The IUPAC name of 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine (CID 2460827) is 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine is FC(F)(F)c1ccccc1C=NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine?
The InChIKey is XHVWNXPOZIOJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c22-21(23,24)19-14-8-7-13-18(19)15-25-26-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H.
What are the key properties of 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine?
1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine has a molecular weight of 352.36 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 2460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).