(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine

C17H13Cl3F3NO — CID 59021179

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine
SMILESCC/C(=N\OCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H13Cl3F3NO/c1-2-16(11-8-10(18)6-7-13(11)17(21,22)23)24-25-9-12-14(19)4-3-5-15(12)20/h3-8H,2,9H2,1H3/b24-16+
InChIKeySDLDHLDIGQSNJG-LFVJCYFKSA-N
MW410.65 g/mol
LogP7.00
Rot. Bonds5

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine (PubChem CID 59021179) has the molecular formula C17H13Cl3F3NO and a molecular weight of 410.65 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine
PubChem CID59021179
Molecular FormulaC17H13Cl3F3NO
Molecular Weight410.65 g/mol
Exact Mass409.00
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine
SMILESCC/C(=N\OCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H13Cl3F3NO/c1-2-16(11-8-10(18)6-7-13(11)17(21,22)23)24-25-9-12-14(19)4-3-5-15(12)20/h3-8H,2,9H2,1H3/b24-16+
InChIKeySDLDHLDIGQSNJG-LFVJCYFKSA-N
XLogP7.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 57.00
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-[(2,6-dichlorophenyl)methoxy]propan-1-imine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine (CID 59021179) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine is CC/C(=N\OCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine?
The InChIKey is SDLDHLDIGQSNJG-LFVJCYFKSA-N. The full InChI is InChI=1S/C17H13Cl3F3NO/c1-2-16(11-8-10(18)6-7-13(11)17(21,22)23)24-25-9-12-14(19)4-3-5-15(12)20/h3-8H,2,9H2,1H3/b24-16+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]propan-1-imine has a molecular weight of 410.65 g/mol, XLogP of 7.00, 5 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-[(2,6-dichlorophenyl)methoxy]propan-1-imine is sourced from PubChem (CID 59021179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).