(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine

C13H16FNO — CID 143911634

IUPAC(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C\O/C=C/C=C(/F)C=C)CN
InChIInChI=1S/C13H16FNO/c1-3-6-12(11-15)8-10-16-9-5-7-13(14)4-2/h3-10H,1-2,11,15H2/b9-5+,10-8+,12-6+,13-7+
InChIKeyDGNVDIXNSMYJTP-QEAVOWQUSA-N
MW221.27 g/mol
LogP3.14
Rot. Bonds7

About (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine

(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine (PubChem CID 143911634) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine
PubChem CID143911634
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C\O/C=C/C=C(/F)C=C)CN
InChIInChI=1S/C13H16FNO/c1-3-6-12(11-15)8-10-16-9-5-7-13(14)4-2/h3-10H,1-2,11,15H2/b9-5+,10-8+,12-6+,13-7+
InChIKeyDGNVDIXNSMYJTP-QEAVOWQUSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-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

Related Compounds

(2E,4E)-2-ethyl-4-methyl-5-(2,2,2-trifluoroethoxy)penta-2,4-dien-1-amine
CID 132195092
(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
CID 155749555
8-Methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
CID 123211860
(2E,4Z)-5-methoxy-3-methylpenta-2,4-dien-1-amine
CID 143600713
ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143673829
(2E,4E)-2-ethenyl-5-methoxyhexa-2,4-dien-1-amine
CID 144630206
ethene;fluoromethane;(E)-2-[(E)-2-(fluoromethoxy)ethenyl]but-2-en-1-amine
CID 155749554

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine (CID 143911634) is (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine is C=C/C=C(\C=C\O/C=C/C=C(/F)C=C)CN.
What is the InChIKey of (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine?
The InChIKey is DGNVDIXNSMYJTP-QEAVOWQUSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-6-12(11-15)8-10-16-9-5-7-13(14)4-2/h3-10H,1-2,11,15H2/b9-5+,10-8+,12-6+,13-7+.
What are the key properties of (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine?
(2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-2-[(1E,3E)-4-fluorohexa-1,3,5-trienoxy]ethenyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 143911634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).