[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine

C14H21FN2O — CID 134449266

IUPAC[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine
SMILESCCC/C(=C\C=C(/C)NN)OC1=C(F)CCC=C1
InChIInChI=1S/C14H21FN2O/c1-3-6-12(10-9-11(2)17-16)18-14-8-5-4-7-13(14)15/h5,8-10,17H,3-4,6-7,16H2,1-2H3/b11-9+,12-10+
InChIKeyBLJLYADIBMHFJG-WGDLNXRISA-N
MW252.33 g/mol
LogP3.59
Rot. Bonds6

About [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine

[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine (PubChem CID 134449266) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine.

Molecular Properties

Compound Name[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine
PubChem CID134449266
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine
SMILESCCC/C(=C\C=C(/C)NN)OC1=C(F)CCC=C1
InChIInChI=1S/C14H21FN2O/c1-3-6-12(10-9-11(2)17-16)18-14-8-5-4-7-13(14)15/h5,8-10,17H,3-4,6-7,16H2,1-2H3/b11-9+,12-10+
InChIKeyBLJLYADIBMHFJG-WGDLNXRISA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine?
The IUPAC name of [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine (CID 134449266) is [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine.
What is the SMILES notation for [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine?
The canonical SMILES for [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine is CCC/C(=C\C=C(/C)NN)OC1=C(F)CCC=C1.
What is the InChIKey of [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine?
The InChIKey is BLJLYADIBMHFJG-WGDLNXRISA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-6-12(10-9-11(2)17-16)18-14-8-5-4-7-13(14)15/h5,8-10,17H,3-4,6-7,16H2,1-2H3/b11-9+,12-10+.
What are the key properties of [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine?
[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine has a molecular weight of 252.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine is sourced from PubChem (CID 134449266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).