1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine

C29H27Cl2F8N3O3 — CID 157203273

IUPAC1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1cc(C(F)(F)F)ccc1F.CON=C(C)c1ccc(C(F)(F)F)cc1F.CON=C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/2C10H9F4NO.C9H9Cl2NO/c1-6(15-16-2)8-5-7(10(12,13)14)3-4-9(8)11;1-6(15-16-2)8-4-3-7(5-9(8)11)10(12,13)14;1-6(12-13-2)8-4-3-7(10)5-9(8)11/h2*3-5H,1-2H3;3-5H,1-2H3
InChIKeyARAZASYJVGYYLJ-UHFFFAOYSA-N
MW688.44 g/mol
LogP9.79
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine

1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine (PubChem CID 157203273) has the molecular formula C29H27Cl2F8N3O3 and a molecular weight of 688.44 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine
PubChem CID157203273
Molecular FormulaC29H27Cl2F8N3O3
Molecular Weight688.44 g/mol
Exact Mass687.13
IUPAC Name1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCON=C(C)c1cc(C(F)(F)F)ccc1F.CON=C(C)c1ccc(C(F)(F)F)cc1F.CON=C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/2C10H9F4NO.C9H9Cl2NO/c1-6(15-16-2)8-5-7(10(12,13)14)3-4-9(8)11;1-6(15-16-2)8-4-3-7(5-9(8)11)10(12,13)14;1-6(12-13-2)8-4-3-7(10)5-9(8)11/h2*3-5H,1-2H3;3-5H,1-2H3
InChIKeyARAZASYJVGYYLJ-UHFFFAOYSA-N
XLogP9.79
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.44
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine (CID 157203273) is 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine is CON=C(C)c1cc(C(F)(F)F)ccc1F.CON=C(C)c1ccc(C(F)(F)F)cc1F.CON=C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The InChIKey is ARAZASYJVGYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9F4NO.C9H9Cl2NO/c1-6(15-16-2)8-5-7(10(12,13)14)3-4-9(8)11;1-6(15-16-2)8-4-3-7(5-9(8)11)10(12,13)14;1-6(12-13-2)8-4-3-7(10)5-9(8)11/h2*3-5H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine?
1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine has a molecular weight of 688.44 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methoxyethanimine;1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethanimine;1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 157203273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).