N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine

C6H7FIN — CID 88579603

IUPACN-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(\I)CF
InChIInChI=1S/C6H7FIN/c1-9-4-2-3-6(8)5-7/h2-4H,1,5H2/b4-2-,6-3+
InChIKeyZLTOACVWBRHQNX-MDNDHVJUSA-N
MW239.03 g/mol
LogP2.49
Rot. Bonds3

About N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine

N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine (PubChem CID 88579603) has the molecular formula C6H7FIN and a molecular weight of 239.03 g/mol. Its IUPAC name is N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine
PubChem CID88579603
Molecular FormulaC6H7FIN
Molecular Weight239.03 g/mol
Exact Mass238.96
IUPAC NameN-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(\I)CF
InChIInChI=1S/C6H7FIN/c1-9-4-2-3-6(8)5-7/h2-4H,1,5H2/b4-2-,6-3+
InChIKeyZLTOACVWBRHQNX-MDNDHVJUSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine (CID 88579603) is N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine is C=N/C=C\C=C(\I)CF.
What is the InChIKey of N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine?
The InChIKey is ZLTOACVWBRHQNX-MDNDHVJUSA-N. The full InChI is InChI=1S/C6H7FIN/c1-9-4-2-3-6(8)5-7/h2-4H,1,5H2/b4-2-,6-3+.
What are the key properties of N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine has a molecular weight of 239.03 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-5-fluoro-4-iodopenta-1,3-dienyl]methanimine is sourced from PubChem (CID 88579603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).