1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one

C22H16F3NO — CID 91068721

IUPAC1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(C/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)18-13-11-16(12-14-18)20(26-19-9-5-2-6-10-19)15-21(27)17-7-3-1-4-8-17/h1-14H,15H2/b26-20+
InChIKeyBRAAURQFOSWAOK-LHLOQNFPSA-N
MW367.37 g/mol
LogP6.10
Rot. Bonds5

About 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 91068721) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID91068721
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(C/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C22H16F3NO/c23-22(24,25)18-13-11-16(12-14-18)20(26-19-9-5-2-6-10-19)15-21(27)17-7-3-1-4-8-17/h1-14H,15H2/b26-20+
InChIKeyBRAAURQFOSWAOK-LHLOQNFPSA-N
XLogP6.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 91068721) is 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(C/C(=N\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is BRAAURQFOSWAOK-LHLOQNFPSA-N. The full InChI is InChI=1S/C22H16F3NO/c23-22(24,25)18-13-11-16(12-14-18)20(26-19-9-5-2-6-10-19)15-21(27)17-7-3-1-4-8-17/h1-14H,15H2/b26-20+.
What are the key properties of 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 367.37 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylimino-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 91068721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).