1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine

C13H16F3N3 — CID 134448195

IUPAC1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine
SMILESC=C/C(=C\C=C/CC(F)(F)F)Cn1cnc(NC)c1
InChIInChI=1S/C13H16F3N3/c1-3-11(6-4-5-7-13(14,15)16)8-19-9-12(17-2)18-10-19/h3-6,9-10,17H,1,7-8H2,2H3/b5-4-,11-6+
InChIKeyCSFMOBQOCSSLRT-UMEJXRAUSA-N
MW271.29 g/mol
LogP3.55
Rot. Bonds6

About 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine

1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine (PubChem CID 134448195) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine.

Molecular Properties

Compound Name1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine
PubChem CID134448195
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine
SMILESC=C/C(=C\C=C/CC(F)(F)F)Cn1cnc(NC)c1
InChIInChI=1S/C13H16F3N3/c1-3-11(6-4-5-7-13(14,15)16)8-19-9-12(17-2)18-10-19/h3-6,9-10,17H,1,7-8H2,2H3/b5-4-,11-6+
InChIKeyCSFMOBQOCSSLRT-UMEJXRAUSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-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 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine?
The IUPAC name of 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine (CID 134448195) is 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine.
What is the SMILES notation for 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine?
The canonical SMILES for 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine is C=C/C(=C\C=C/CC(F)(F)F)Cn1cnc(NC)c1.
What is the InChIKey of 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine?
The InChIKey is CSFMOBQOCSSLRT-UMEJXRAUSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-3-11(6-4-5-7-13(14,15)16)8-19-9-12(17-2)18-10-19/h3-6,9-10,17H,1,7-8H2,2H3/b5-4-,11-6+.
What are the key properties of 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine?
1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine has a molecular weight of 271.29 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2-ethenyl-7,7,7-trifluorohepta-2,4-dienyl]-N-methylimidazol-4-amine is sourced from PubChem (CID 134448195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).