(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene

C13H21FO — CID 166969290

IUPAC(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene
SMILESC=C(F)/C=C(/C=C\CCCOCC)CC
InChIInChI=1S/C13H21FO/c1-4-13(11-12(3)14)9-7-6-8-10-15-5-2/h7,9,11H,3-6,8,10H2,1-2H3/b9-7-,13-11+
InChIKeyZMTVCESAABQTHU-OJNBOFHUSA-N
MW212.31 g/mol
LogP4.18
Rot. Bonds8

About (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene

(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene (PubChem CID 166969290) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene
PubChem CID166969290
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene
SMILESC=C(F)/C=C(/C=C\CCCOCC)CC
InChIInChI=1S/C13H21FO/c1-4-13(11-12(3)14)9-7-6-8-10-15-5-2/h7,9,11H,3-6,8,10H2,1-2H3/b9-7-,13-11+
InChIKeyZMTVCESAABQTHU-OJNBOFHUSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene?
The IUPAC name of (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene (CID 166969290) is (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene?
The canonical SMILES for (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene is C=C(F)/C=C(/C=C\CCCOCC)CC.
What is the InChIKey of (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene?
The InChIKey is ZMTVCESAABQTHU-OJNBOFHUSA-N. The full InChI is InChI=1S/C13H21FO/c1-4-13(11-12(3)14)9-7-6-8-10-15-5-2/h7,9,11H,3-6,8,10H2,1-2H3/b9-7-,13-11+.
What are the key properties of (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene?
(3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene has a molecular weight of 212.31 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-9-ethoxy-4-ethyl-2-fluoronona-1,3,5-triene is sourced from PubChem (CID 166969290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).