(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene

C12H19FO2 — CID 89318777

IUPAC(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene
SMILESC/C=C\C(=C/C=C(\C)F)OCCCOC
InChIInChI=1S/C12H19FO2/c1-4-6-12(8-7-11(2)13)15-10-5-9-14-3/h4,6-8H,5,9-10H2,1-3H3/b6-4-,11-7+,12-8+
InChIKeyHJDSXCKEECEVNJ-ABPJNWLSSA-N
MW214.28 g/mol
LogP3.37
Rot. Bonds7

About (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene

(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene (PubChem CID 89318777) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene
PubChem CID89318777
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene
SMILESC/C=C\C(=C/C=C(\C)F)OCCCOC
InChIInChI=1S/C12H19FO2/c1-4-6-12(8-7-11(2)13)15-10-5-9-14-3/h4,6-8H,5,9-10H2,1-3H3/b6-4-,11-7+,12-8+
InChIKeyHJDSXCKEECEVNJ-ABPJNWLSSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene?
The IUPAC name of (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene (CID 89318777) is (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene.
What is the SMILES notation for (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene?
The canonical SMILES for (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene is C/C=C\C(=C/C=C(\C)F)OCCCOC.
What is the InChIKey of (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene?
The InChIKey is HJDSXCKEECEVNJ-ABPJNWLSSA-N. The full InChI is InChI=1S/C12H19FO2/c1-4-6-12(8-7-11(2)13)15-10-5-9-14-3/h4,6-8H,5,9-10H2,1-3H3/b6-4-,11-7+,12-8+.
What are the key properties of (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene?
(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene has a molecular weight of 214.28 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene is sourced from PubChem (CID 89318777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).