(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene

C8H11F — CID 89311774

IUPAC(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene
SMILESC/C=C\C=C/C=C/CF
InChIInChI=1S/C8H11F/c1-2-3-4-5-6-7-8-9/h2-7H,8H2,1H3/b3-2-,5-4-,7-6+
InChIKeyRFCXLPZKEIDRKT-MUVPYGFYSA-N
MW126.17 g/mol
LogP2.64
Rot. Bonds3

About (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene

(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene (PubChem CID 89311774) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene
PubChem CID89311774
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene
SMILESC/C=C\C=C/C=C/CF
InChIInChI=1S/C8H11F/c1-2-3-4-5-6-7-8-9/h2-7H,8H2,1H3/b3-2-,5-4-,7-6+
InChIKeyRFCXLPZKEIDRKT-MUVPYGFYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z,6Z)-1-fluoroocta-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 (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene?
The IUPAC name of (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene (CID 89311774) is (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene.
What is the SMILES notation for (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene?
The canonical SMILES for (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene is C/C=C\C=C/C=C/CF.
What is the InChIKey of (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene?
The InChIKey is RFCXLPZKEIDRKT-MUVPYGFYSA-N. The full InChI is InChI=1S/C8H11F/c1-2-3-4-5-6-7-8-9/h2-7H,8H2,1H3/b3-2-,5-4-,7-6+.
What are the key properties of (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene?
(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene has a molecular weight of 126.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-1-fluoroocta-2,4,6-triene is sourced from PubChem (CID 89311774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).