(E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine

C13H12F5NO — CID 91752836

IUPAC(E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine
SMILESCC/C=C\C/C=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H12F5NO/c1-2-3-4-5-6-19-20-7-8-9(14)11(16)13(18)12(17)10(8)15/h3-4,6H,2,5,7H2,1H3/b4-3-,19-6+
InChIKeyPLYBPQWHMHMGKM-IRBPDOHVSA-N
MW293.23 g/mol
LogP4.24
Rot. Bonds6

About (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine

(E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine (PubChem CID 91752836) has the molecular formula C13H12F5NO and a molecular weight of 293.23 g/mol. Its IUPAC name is (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine.

Molecular Properties

Compound Name(E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine
PubChem CID91752836
Molecular FormulaC13H12F5NO
Molecular Weight293.23 g/mol
Exact Mass293.08
IUPAC Name(E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine
SMILESCC/C=C\C/C=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H12F5NO/c1-2-3-4-5-6-19-20-7-8-9(14)11(16)13(18)12(17)10(8)15/h3-4,6H,2,5,7H2,1H3/b4-3-,19-6+
InChIKeyPLYBPQWHMHMGKM-IRBPDOHVSA-N
XLogP4.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-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,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine?
The IUPAC name of (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine (CID 91752836) is (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine.
What is the SMILES notation for (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine?
The canonical SMILES for (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine is CC/C=C\C/C=N/OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine?
The InChIKey is PLYBPQWHMHMGKM-IRBPDOHVSA-N. The full InChI is InChI=1S/C13H12F5NO/c1-2-3-4-5-6-19-20-7-8-9(14)11(16)13(18)12(17)10(8)15/h3-4,6H,2,5,7H2,1H3/b4-3-,19-6+.
What are the key properties of (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine?
(E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine has a molecular weight of 293.23 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hex-3-en-1-imine is sourced from PubChem (CID 91752836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).