(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene

C11H13F3O — CID 143375499

IUPAC(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene
SMILESC=C/C(=C\C=C\OC(F)(F)F)C/C=C/C
InChIInChI=1S/C11H13F3O/c1-3-5-7-10(4-2)8-6-9-15-11(12,13)14/h3-6,8-9H,2,7H2,1H3/b5-3+,9-6+,10-8+
InChIKeyYFEQEJCIPAEJQR-QNGLDBALSA-N
MW218.22 g/mol
LogP4.12
Rot. Bonds5

About (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene

(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene (PubChem CID 143375499) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene.

Molecular Properties

Compound Name(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene
PubChem CID143375499
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene
SMILESC=C/C(=C\C=C\OC(F)(F)F)C/C=C/C
InChIInChI=1S/C11H13F3O/c1-3-5-7-10(4-2)8-6-9-15-11(12,13)14/h3-6,8-9H,2,7H2,1H3/b5-3+,9-6+,10-8+
InChIKeyYFEQEJCIPAEJQR-QNGLDBALSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene 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 (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene?
The IUPAC name of (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene (CID 143375499) is (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene.
What is the SMILES notation for (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene?
The canonical SMILES for (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene is C=C/C(=C\C=C\OC(F)(F)F)C/C=C/C.
What is the InChIKey of (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene?
The InChIKey is YFEQEJCIPAEJQR-QNGLDBALSA-N. The full InChI is InChI=1S/C11H13F3O/c1-3-5-7-10(4-2)8-6-9-15-11(12,13)14/h3-6,8-9H,2,7H2,1H3/b5-3+,9-6+,10-8+.
What are the key properties of (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene?
(1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene has a molecular weight of 218.22 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,6E)-4-ethenyl-1-(trifluoromethoxy)octa-1,3,6-triene is sourced from PubChem (CID 143375499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).