N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide

C17H16F3NO — CID 24892270

IUPACN-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILESCC(Cc1ccccc1)/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c1-13(11-14-5-3-2-4-6-14)21(22)12-15-7-9-16(10-8-15)17(18,19)20/h2-10,12-13H,11H2,1H3/b21-12+
InChIKeyXEQJPCPQXDZKHB-CIAFOILYSA-N
MW307.32 g/mol
LogP4.27
Rot. Bonds4

About N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide

N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide (PubChem CID 24892270) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
PubChem CID24892270
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
SMILESCC(Cc1ccccc1)/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c1-13(11-14-5-3-2-4-6-14)21(22)12-15-7-9-16(10-8-15)17(18,19)20/h2-10,12-13H,11H2,1H3/b21-12+
InChIKeyXEQJPCPQXDZKHB-CIAFOILYSA-N
XLogP4.27
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The IUPAC name of N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide (CID 24892270) is N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The canonical SMILES for N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide is CC(Cc1ccccc1)/[N+]([O-])=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
The InChIKey is XEQJPCPQXDZKHB-CIAFOILYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-13(11-14-5-3-2-4-6-14)21(22)12-15-7-9-16(10-8-15)17(18,19)20/h2-10,12-13H,11H2,1H3/b21-12+.
What are the key properties of N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide?
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide has a molecular weight of 307.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide is sourced from PubChem (CID 24892270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).