(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine

C15H10Br2F3NO — CID 90999728

IUPAC(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine
SMILESCc1c(Br)cc(/C=N\Oc2cccc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C15H10Br2F3NO/c1-9-13(16)5-10(6-14(9)17)8-21-22-12-4-2-3-11(7-12)15(18,19)20/h2-8H,1H3/b21-8-
InChIKeyCGFMZTATUZYJPO-WNFQYIGGSA-N
MW437.05 g/mol
LogP5.95
Rot. Bonds3

About (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine

(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine (PubChem CID 90999728) has the molecular formula C15H10Br2F3NO and a molecular weight of 437.05 g/mol. Its IUPAC name is (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine
PubChem CID90999728
Molecular FormulaC15H10Br2F3NO
Molecular Weight437.05 g/mol
Exact Mass434.91
IUPAC Name(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine
SMILESCc1c(Br)cc(/C=N\Oc2cccc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C15H10Br2F3NO/c1-9-13(16)5-10(6-14(9)17)8-21-22-12-4-2-3-11(7-12)15(18,19)20/h2-8H,1H3/b21-8-
InChIKeyCGFMZTATUZYJPO-WNFQYIGGSA-N
XLogP5.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.05
LogP ≤ 55.95
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 (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine?
The IUPAC name of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine (CID 90999728) is (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine.
What is the SMILES notation for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine?
The canonical SMILES for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine is Cc1c(Br)cc(/C=N\Oc2cccc(C(F)(F)F)c2)cc1Br.
What is the InChIKey of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine?
The InChIKey is CGFMZTATUZYJPO-WNFQYIGGSA-N. The full InChI is InChI=1S/C15H10Br2F3NO/c1-9-13(16)5-10(6-14(9)17)8-21-22-12-4-2-3-11(7-12)15(18,19)20/h2-8H,1H3/b21-8-.
What are the key properties of (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine?
(Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine has a molecular weight of 437.05 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,5-dibromo-4-methylphenyl)-N-[3-(trifluoromethyl)phenoxy]methanimine is sourced from PubChem (CID 90999728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).