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

C8H11F — CID 87152719

IUPAC(2Z,4E,6E)-4-fluoroocta-2,4,6-triene
SMILESC/C=C\C(F)=C/C=C/C
InChIInChI=1S/C8H11F/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+
InChIKeyHCUMGHFBQQFIIY-GOZJPCKMSA-N
MW126.17 g/mol
LogP2.99
Rot. Bonds2

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

(2Z,4E,6E)-4-fluoroocta-2,4,6-triene (PubChem CID 87152719) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (2Z,4E,6E)-4-fluoroocta-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-4-fluoroocta-2,4,6-triene
PubChem CID87152719
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(2Z,4E,6E)-4-fluoroocta-2,4,6-triene
SMILESC/C=C\C(F)=C/C=C/C
InChIInChI=1S/C8H11F/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+
InChIKeyHCUMGHFBQQFIIY-GOZJPCKMSA-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 (2Z,4E,6E)-4-fluoroocta-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-4-fluoroocta-2,4,6-triene (CID 87152719) is (2Z,4E,6E)-4-fluoroocta-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-4-fluoroocta-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-4-fluoroocta-2,4,6-triene is C/C=C\C(F)=C/C=C/C.
What is the InChIKey of (2Z,4E,6E)-4-fluoroocta-2,4,6-triene?
The InChIKey is HCUMGHFBQQFIIY-GOZJPCKMSA-N. The full InChI is InChI=1S/C8H11F/c1-3-5-7-8(9)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,8-7+.
What are the key properties of (2Z,4E,6E)-4-fluoroocta-2,4,6-triene?
(2Z,4E,6E)-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 (2Z,4E,6E)-4-fluoroocta-2,4,6-triene is sourced from PubChem (CID 87152719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).