(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine

C13H22FNO2 — CID 155485579

IUPAC(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
SMILESCC/C=C\C(F)=C(/C=C/CN)OCCOCC
InChIInChI=1S/C13H22FNO2/c1-3-5-7-12(14)13(8-6-9-15)17-11-10-16-4-2/h5-8H,3-4,9-11,15H2,1-2H3/b7-5-,8-6+,13-12-
InChIKeyQNDIJKHDUVNUCF-VJHJETSQSA-N
MW243.32 g/mol
LogP2.70
Rot. Bonds9

About (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine

(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine (PubChem CID 155485579) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
PubChem CID155485579
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Name(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
SMILESCC/C=C\C(F)=C(/C=C/CN)OCCOCC
InChIInChI=1S/C13H22FNO2/c1-3-5-7-12(14)13(8-6-9-15)17-11-10-16-4-2/h5-8H,3-4,9-11,15H2,1-2H3/b7-5-,8-6+,13-12-
InChIKeyQNDIJKHDUVNUCF-VJHJETSQSA-N
XLogP2.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine (CID 155485579) is (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine is CC/C=C\C(F)=C(/C=C/CN)OCCOCC.
What is the InChIKey of (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine?
The InChIKey is QNDIJKHDUVNUCF-VJHJETSQSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-3-5-7-12(14)13(8-6-9-15)17-11-10-16-4-2/h5-8H,3-4,9-11,15H2,1-2H3/b7-5-,8-6+,13-12-.
What are the key properties of (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine?
(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine has a molecular weight of 243.32 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine is sourced from PubChem (CID 155485579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).