(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene

C11H13F — CID 102100192

IUPAC(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
SMILESC=C/C=C/C=C/C=C/C=C/CF
InChIInChI=1S/C11H13F/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H,1,11H2/b4-3+,6-5+,8-7+,10-9+
InChIKeyVFQFQTGUOYVGRM-BYFNFPHLSA-N
MW164.22 g/mol
LogP3.37
Rot. Bonds5

About (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene

(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene (PubChem CID 102100192) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
PubChem CID102100192
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
SMILESC=C/C=C/C=C/C=C/C=C/CF
InChIInChI=1S/C11H13F/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H,1,11H2/b4-3+,6-5+,8-7+,10-9+
InChIKeyVFQFQTGUOYVGRM-BYFNFPHLSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene?
The IUPAC name of (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene (CID 102100192) is (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene.
What is the SMILES notation for (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene?
The canonical SMILES for (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene is C=C/C=C/C=C/C=C/C=C/CF.
What is the InChIKey of (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene?
The InChIKey is VFQFQTGUOYVGRM-BYFNFPHLSA-N. The full InChI is InChI=1S/C11H13F/c1-2-3-4-5-6-7-8-9-10-11-12/h2-10H,1,11H2/b4-3+,6-5+,8-7+,10-9+.
What are the key properties of (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene?
(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene has a molecular weight of 164.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 102100192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).