2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane

C11H17FO2 — CID 139297674

IUPAC2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane
SMILESCCC/C(=C\C=C(/C)F)C1OCCO1
InChIInChI=1S/C11H17FO2/c1-3-4-10(6-5-9(2)12)11-13-7-8-14-11/h5-6,11H,3-4,7-8H2,1-2H3/b9-5+,10-6+
InChIKeyTYTGHQYWKNULDN-NXZHAISVSA-N
MW200.25 g/mol
LogP2.96
Rot. Bonds4

About 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane

2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane (PubChem CID 139297674) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane
PubChem CID139297674
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane
SMILESCCC/C(=C\C=C(/C)F)C1OCCO1
InChIInChI=1S/C11H17FO2/c1-3-4-10(6-5-9(2)12)11-13-7-8-14-11/h5-6,11H,3-4,7-8H2,1-2H3/b9-5+,10-6+
InChIKeyTYTGHQYWKNULDN-NXZHAISVSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane?
The IUPAC name of 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane (CID 139297674) is 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane?
The canonical SMILES for 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane is CCC/C(=C\C=C(/C)F)C1OCCO1.
What is the InChIKey of 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane?
The InChIKey is TYTGHQYWKNULDN-NXZHAISVSA-N. The full InChI is InChI=1S/C11H17FO2/c1-3-4-10(6-5-9(2)12)11-13-7-8-14-11/h5-6,11H,3-4,7-8H2,1-2H3/b9-5+,10-6+.
What are the key properties of 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane?
2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane has a molecular weight of 200.25 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,6E)-7-fluoroocta-4,6-dien-4-yl]-1,3-dioxolane is sourced from PubChem (CID 139297674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).