(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine

C16H16Cl4F3NO3 — CID 18430010

IUPAC(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine
SMILESFC(F)(F)CO/N=C/CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C16H16Cl4F3NO3/c17-12-8-11(25-7-4-14(19)20)9-13(18)15(12)26-6-3-1-2-5-24-27-10-16(21,22)23/h4-5,8-9H,1-3,6-7,10H2/b24-5+
InChIKeyIXHGHMZUGUPKJW-ZXKDJJQISA-N
MW469.11 g/mol
LogP6.80
Rot. Bonds11

About (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine

(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine (PubChem CID 18430010) has the molecular formula C16H16Cl4F3NO3 and a molecular weight of 469.11 g/mol. Its IUPAC name is (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine.

Molecular Properties

Compound Name(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine
PubChem CID18430010
Molecular FormulaC16H16Cl4F3NO3
Molecular Weight469.11 g/mol
Exact Mass466.98
IUPAC Name(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine
SMILESFC(F)(F)CO/N=C/CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
InChIInChI=1S/C16H16Cl4F3NO3/c17-12-8-11(25-7-4-14(19)20)9-13(18)15(12)26-6-3-1-2-5-24-27-10-16(21,22)23/h4-5,8-9H,1-3,6-7,10H2/b24-5+
InChIKeyIXHGHMZUGUPKJW-ZXKDJJQISA-N
XLogP6.80
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.11
LogP ≤ 56.80
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)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine 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)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine?
The IUPAC name of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine (CID 18430010) is (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine.
What is the SMILES notation for (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine?
The canonical SMILES for (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine is FC(F)(F)CO/N=C/CCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.
What is the InChIKey of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine?
The InChIKey is IXHGHMZUGUPKJW-ZXKDJJQISA-N. The full InChI is InChI=1S/C16H16Cl4F3NO3/c17-12-8-11(25-7-4-14(19)20)9-13(18)15(12)26-6-3-1-2-5-24-27-10-16(21,22)23/h4-5,8-9H,1-3,6-7,10H2/b24-5+.
What are the key properties of (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine?
(E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine has a molecular weight of 469.11 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-N-(2,2,2-trifluoroethoxy)pentan-1-imine is sourced from PubChem (CID 18430010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).