4-fluoroocta-2,4,6-triene

C8H11F — CID 91299138

IUPAC4-fluoroocta-2,4,6-triene
SMILESCC=CC=C(F)C=CC
InChIInChI=1S/C8H11F/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3
InChIKeyHCUMGHFBQQFIIY-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.99
Rot. Bonds2

About 4-fluoroocta-2,4,6-triene

4-fluoroocta-2,4,6-triene (PubChem CID 91299138) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 4-fluoroocta-2,4,6-triene.

Molecular Properties

Compound Name4-fluoroocta-2,4,6-triene
PubChem CID91299138
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name4-fluoroocta-2,4,6-triene
SMILESCC=CC=C(F)C=CC
InChIInChI=1S/C8H11F/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3
InChIKeyHCUMGHFBQQFIIY-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoroocta-2,4,6-triene?
The IUPAC name of 4-fluoroocta-2,4,6-triene (CID 91299138) is 4-fluoroocta-2,4,6-triene.
What is the SMILES notation for 4-fluoroocta-2,4,6-triene?
The canonical SMILES for 4-fluoroocta-2,4,6-triene is CC=CC=C(F)C=CC.
What is the InChIKey of 4-fluoroocta-2,4,6-triene?
The InChIKey is HCUMGHFBQQFIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3.
What are the key properties of 4-fluoroocta-2,4,6-triene?
4-fluoroocta-2,4,6-triene has a molecular weight of 126.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroocta-2,4,6-triene is sourced from PubChem (CID 91299138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).