(1E,6Z)-1,3-difluoroocta-1,4,6-triene

C8H10F2 — CID 142242814

IUPAC(1E,6Z)-1,3-difluoroocta-1,4,6-triene
SMILESC/C=C\C=CC(F)/C=C/F
InChIInChI=1S/C8H10F2/c1-2-3-4-5-8(10)6-7-9/h2-8H,1H3/b3-2-,5-4?,7-6+
InChIKeyVLSFDLJMJKDXEI-DZBZBDAMSA-N
MW144.16 g/mol
LogP2.94
Rot. Bonds3

About (1E,6Z)-1,3-difluoroocta-1,4,6-triene

(1E,6Z)-1,3-difluoroocta-1,4,6-triene (PubChem CID 142242814) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is (1E,6Z)-1,3-difluoroocta-1,4,6-triene.

Molecular Properties

Compound Name(1E,6Z)-1,3-difluoroocta-1,4,6-triene
PubChem CID142242814
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name(1E,6Z)-1,3-difluoroocta-1,4,6-triene
SMILESC/C=C\C=CC(F)/C=C/F
InChIInChI=1S/C8H10F2/c1-2-3-4-5-8(10)6-7-9/h2-8H,1H3/b3-2-,5-4?,7-6+
InChIKeyVLSFDLJMJKDXEI-DZBZBDAMSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.94
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 (1E,6Z)-1,3-difluoroocta-1,4,6-triene?
The IUPAC name of (1E,6Z)-1,3-difluoroocta-1,4,6-triene (CID 142242814) is (1E,6Z)-1,3-difluoroocta-1,4,6-triene.
What is the SMILES notation for (1E,6Z)-1,3-difluoroocta-1,4,6-triene?
The canonical SMILES for (1E,6Z)-1,3-difluoroocta-1,4,6-triene is C/C=C\C=CC(F)/C=C/F.
What is the InChIKey of (1E,6Z)-1,3-difluoroocta-1,4,6-triene?
The InChIKey is VLSFDLJMJKDXEI-DZBZBDAMSA-N. The full InChI is InChI=1S/C8H10F2/c1-2-3-4-5-8(10)6-7-9/h2-8H,1H3/b3-2-,5-4?,7-6+.
What are the key properties of (1E,6Z)-1,3-difluoroocta-1,4,6-triene?
(1E,6Z)-1,3-difluoroocta-1,4,6-triene has a molecular weight of 144.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6Z)-1,3-difluoroocta-1,4,6-triene is sourced from PubChem (CID 142242814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).