(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine

C15H9Cl3F3NO — CID 88957322

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C=N/OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3F3NO/c16-11-3-4-13(15(19,20)21)10(5-11)7-22-23-8-9-1-2-12(17)6-14(9)18/h1-7H,8H2/b22-7+
InChIKeyVHGUKPXMMRDBNH-QPJQQBGISA-N
MW382.60 g/mol
LogP6.22
Rot. Bonds4

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine (PubChem CID 88957322) has the molecular formula C15H9Cl3F3NO and a molecular weight of 382.60 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
PubChem CID88957322
Molecular FormulaC15H9Cl3F3NO
Molecular Weight382.60 g/mol
Exact Mass380.97
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine
SMILESFC(F)(F)c1ccc(Cl)cc1/C=N/OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl3F3NO/c16-11-3-4-13(15(19,20)21)10(5-11)7-22-23-8-9-1-2-12(17)6-14(9)18/h1-7H,8H2/b22-7+
InChIKeyVHGUKPXMMRDBNH-QPJQQBGISA-N
XLogP6.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 56.22
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 (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine (CID 88957322) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine is FC(F)(F)c1ccc(Cl)cc1/C=N/OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
The InChIKey is VHGUKPXMMRDBNH-QPJQQBGISA-N. The full InChI is InChI=1S/C15H9Cl3F3NO/c16-11-3-4-13(15(19,20)21)10(5-11)7-22-23-8-9-1-2-12(17)6-14(9)18/h1-7H,8H2/b22-7+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine has a molecular weight of 382.60 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,4-dichlorophenyl)methoxy]methanimine is sourced from PubChem (CID 88957322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).