1-fluoroocta-1,3,5,7-tetraene

C8H9F — CID 71346236

IUPAC1-fluoroocta-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CF
InChIInChI=1S/C8H9F/c1-2-3-4-5-6-7-8-9/h2-8H,1H2
InChIKeyXANDBJMKOVLWOG-UHFFFAOYSA-N
MW124.16 g/mol
LogP2.77
Rot. Bonds3

About 1-fluoroocta-1,3,5,7-tetraene

1-fluoroocta-1,3,5,7-tetraene (PubChem CID 71346236) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is 1-fluoroocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name1-fluoroocta-1,3,5,7-tetraene
PubChem CID71346236
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name1-fluoroocta-1,3,5,7-tetraene
SMILESC=CC=CC=CC=CF
InChIInChI=1S/C8H9F/c1-2-3-4-5-6-7-8-9/h2-8H,1H2
InChIKeyXANDBJMKOVLWOG-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.77
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 1-fluoroocta-1,3,5,7-tetraene?
The IUPAC name of 1-fluoroocta-1,3,5,7-tetraene (CID 71346236) is 1-fluoroocta-1,3,5,7-tetraene.
What is the SMILES notation for 1-fluoroocta-1,3,5,7-tetraene?
The canonical SMILES for 1-fluoroocta-1,3,5,7-tetraene is C=CC=CC=CC=CF.
What is the InChIKey of 1-fluoroocta-1,3,5,7-tetraene?
The InChIKey is XANDBJMKOVLWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F/c1-2-3-4-5-6-7-8-9/h2-8H,1H2.
What are the key properties of 1-fluoroocta-1,3,5,7-tetraene?
1-fluoroocta-1,3,5,7-tetraene has a molecular weight of 124.16 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroocta-1,3,5,7-tetraene is sourced from PubChem (CID 71346236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).