(3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene

C10H11F — CID 138667762

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

About (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene

(3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene (PubChem CID 138667762) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene
PubChem CID138667762
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name(3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene
SMILESC#CC(/C=C(/F)C=C)=C/CC
InChIInChI=1S/C10H11F/c1-4-7-9(5-2)8-10(11)6-3/h2,6-8H,3-4H2,1H3/b9-7-,10-8+
InChIKeyUKIQNVSENUBTFC-FKJILZIQSA-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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene?
The IUPAC name of (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene (CID 138667762) is (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene?
The canonical SMILES for (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene is C#CC(/C=C(/F)C=C)=C/CC.
What is the InChIKey of (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene?
The InChIKey is UKIQNVSENUBTFC-FKJILZIQSA-N. The full InChI is InChI=1S/C10H11F/c1-4-7-9(5-2)8-10(11)6-3/h2,6-8H,3-4H2,1H3/b9-7-,10-8+.
What are the key properties of (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene?
(3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-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 (3E,5E)-5-ethynyl-3-fluoroocta-1,3,5-triene is sourced from PubChem (CID 138667762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).