[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene

C6H9FN2 — CID 166987577

IUPAC[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene
SMILESC/C=C\C=C(F)/N=N/C
InChIInChI=1S/C6H9FN2/c1-3-4-5-6(7)9-8-2/h3-5H,1-2H3/b4-3-,6-5-,9-8+
InChIKeyWKHYHJRGYSYXOD-CPTVHZMHSA-N
MW128.15 g/mol
LogP2.46
Rot. Bonds2

About [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene

[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene (PubChem CID 166987577) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene.

Molecular Properties

Compound Name[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene
PubChem CID166987577
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene
SMILESC/C=C\C=C(F)/N=N/C
InChIInChI=1S/C6H9FN2/c1-3-4-5-6(7)9-8-2/h3-5H,1-2H3/b4-3-,6-5-,9-8+
InChIKeyWKHYHJRGYSYXOD-CPTVHZMHSA-N
XLogP2.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
N-[(1E,3Z)-1-iodopenta-1,3-dienyl]methanimine
CID 163860981
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
CID 126494567
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene
CID 167457315
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
N-(1-methoxyhexa-2,4-dien-2-yl)methanimine
CID 123372368
(4E)-hexa-2,4-diene
CID 22435466

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene?
The IUPAC name of [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene (CID 166987577) is [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene.
What is the SMILES notation for [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene?
The canonical SMILES for [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene is C/C=C\C=C(F)/N=N/C.
What is the InChIKey of [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene?
The InChIKey is WKHYHJRGYSYXOD-CPTVHZMHSA-N. The full InChI is InChI=1S/C6H9FN2/c1-3-4-5-6(7)9-8-2/h3-5H,1-2H3/b4-3-,6-5-,9-8+.
What are the key properties of [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene?
[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene has a molecular weight of 128.15 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene is sourced from PubChem (CID 166987577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).