(E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine

C24H26Cl2F3NO3 — CID 18430162

IUPAC(E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCO/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26Cl2F3NO3/c1-3-18-14-21(31-13-10-22(25)26)15-19(4-2)23(18)32-11-5-12-33-30-16-17-6-8-20(9-7-17)24(27,28)29/h6-10,14-16H,3-5,11-13H2,1-2H3/b30-16+
InChIKeySLCPZWLJAXBBCH-OKCVXOCRSA-N
MW504.38 g/mol
LogP7.35
Rot. Bonds12

About (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine

(E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 18430162) has the molecular formula C24H26Cl2F3NO3 and a molecular weight of 504.38 g/mol. Its IUPAC name is (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID18430162
Molecular FormulaC24H26Cl2F3NO3
Molecular Weight504.38 g/mol
Exact Mass503.12
IUPAC Name(E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCO/N=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H26Cl2F3NO3/c1-3-18-14-21(31-13-10-22(25)26)15-19(4-2)23(18)32-11-5-12-33-30-16-17-6-8-20(9-7-17)24(27,28)29/h6-10,14-16H,3-5,11-13H2,1-2H3/b30-16+
InChIKeySLCPZWLJAXBBCH-OKCVXOCRSA-N
XLogP7.35
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.38
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 18430162) is (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine is CCc1cc(OCC=C(Cl)Cl)cc(CC)c1OCCCO/N=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is SLCPZWLJAXBBCH-OKCVXOCRSA-N. The full InChI is InChI=1S/C24H26Cl2F3NO3/c1-3-18-14-21(31-13-10-22(25)26)15-19(4-2)23(18)32-11-5-12-33-30-16-17-6-8-20(9-7-17)24(27,28)29/h6-10,14-16H,3-5,11-13H2,1-2H3/b30-16+.
What are the key properties of (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine?
(E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 504.38 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-(3,3-dichloroprop-2-enoxy)-2,6-diethylphenoxy]propoxy]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 18430162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).