(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene

C10H15FO — CID 155185239

IUPAC(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
SMILESC=C/C(F)=C\C=C(/CCC)OC
InChIInChI=1S/C10H15FO/c1-4-6-10(12-3)8-7-9(11)5-2/h5,7-8H,2,4,6H2,1,3H3/b9-7+,10-8+
InChIKeyLNTXHQNLLFNPSB-FIFLTTCUSA-N
MW170.23 g/mol
LogP3.36
Rot. Bonds5

About (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene

(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene (PubChem CID 155185239) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
PubChem CID155185239
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
SMILESC=C/C(F)=C\C=C(/CCC)OC
InChIInChI=1S/C10H15FO/c1-4-6-10(12-3)8-7-9(11)5-2/h5,7-8H,2,4,6H2,1,3H3/b9-7+,10-8+
InChIKeyLNTXHQNLLFNPSB-FIFLTTCUSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene?
The IUPAC name of (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene (CID 155185239) is (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene.
What is the SMILES notation for (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene?
The canonical SMILES for (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene is C=C/C(F)=C\C=C(/CCC)OC.
What is the InChIKey of (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene?
The InChIKey is LNTXHQNLLFNPSB-FIFLTTCUSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-6-10(12-3)8-7-9(11)5-2/h5,7-8H,2,4,6H2,1,3H3/b9-7+,10-8+.
What are the key properties of (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene?
(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene has a molecular weight of 170.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene is sourced from PubChem (CID 155185239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).