(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene

C10H11F — CID 89419046

IUPAC(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene
SMILESC#C/C(=C\C=C(/C)F)CC=C
InChIInChI=1S/C10H11F/c1-4-6-10(5-2)8-7-9(3)11/h2,4,7-8H,1,6H2,3H3/b9-7+,10-8+
InChIKeyMLKWYUNJNPQKQJ-FIFLTTCUSA-N
MW150.20 g/mol
LogP3.00
Rot. Bonds3

About (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene

(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene (PubChem CID 89419046) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene.

Molecular Properties

Compound Name(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene
PubChem CID89419046
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene
SMILESC#C/C(=C\C=C(/C)F)CC=C
InChIInChI=1S/C10H11F/c1-4-6-10(5-2)8-7-9(3)11/h2,4,7-8H,1,6H2,3H3/b9-7+,10-8+
InChIKeyMLKWYUNJNPQKQJ-FIFLTTCUSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene?
The IUPAC name of (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene (CID 89419046) is (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene.
What is the SMILES notation for (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene?
The canonical SMILES for (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene is C#C/C(=C\C=C(/C)F)CC=C.
What is the InChIKey of (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene?
The InChIKey is MLKWYUNJNPQKQJ-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H11F/c1-4-6-10(5-2)8-7-9(3)11/h2,4,7-8H,1,6H2,3H3/b9-7+,10-8+.
What are the key properties of (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene?
(4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene has a molecular weight of 150.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-ethynyl-7-fluoroocta-1,4,6-triene is sourced from PubChem (CID 89419046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).