(2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene

C9H13FO — CID 142875337

IUPAC(2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene
SMILESC/C=C\C(F)=C(/C=C\C)OC
InChIInChI=1S/C9H13FO/c1-4-6-8(10)9(11-3)7-5-2/h4-7H,1-3H3/b6-4-,7-5-,9-8-
InChIKeyYKIVCSODDRKKAV-WRQXQGDDSA-N
MW156.20 g/mol
LogP2.97
Rot. Bonds3

About (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene

(2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene (PubChem CID 142875337) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene
PubChem CID142875337
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene
SMILESC/C=C\C(F)=C(/C=C\C)OC
InChIInChI=1S/C9H13FO/c1-4-6-8(10)9(11-3)7-5-2/h4-7H,1-3H3/b6-4-,7-5-,9-8-
InChIKeyYKIVCSODDRKKAV-WRQXQGDDSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-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 (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene?
The IUPAC name of (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene (CID 142875337) is (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene.
What is the SMILES notation for (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene?
The canonical SMILES for (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene is C/C=C\C(F)=C(/C=C\C)OC.
What is the InChIKey of (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene?
The InChIKey is YKIVCSODDRKKAV-WRQXQGDDSA-N. The full InChI is InChI=1S/C9H13FO/c1-4-6-8(10)9(11-3)7-5-2/h4-7H,1-3H3/b6-4-,7-5-,9-8-.
What are the key properties of (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene?
(2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene has a molecular weight of 156.20 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-4-fluoro-5-methoxyocta-2,4,6-triene is sourced from PubChem (CID 142875337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).