[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine

C16H21FN2O — CID 134448703

IUPAC[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine
SMILESCC(C)=C/C(=C\C=C(/C)NN)OC1C=CC=CC(F)=C1
InChIInChI=1S/C16H21FN2O/c1-12(2)10-16(9-8-13(3)19-18)20-15-7-5-4-6-14(17)11-15/h4-11,15,19H,18H2,1-3H3/b13-8+,16-9+
InChIKeyNRQVCEAODHUIGW-CTWANCMXSA-N
MW276.36 g/mol
LogP3.57
Rot. Bonds5

About [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine

[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine (PubChem CID 134448703) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine.

Molecular Properties

Compound Name[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine
PubChem CID134448703
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine
SMILESCC(C)=C/C(=C\C=C(/C)NN)OC1C=CC=CC(F)=C1
InChIInChI=1S/C16H21FN2O/c1-12(2)10-16(9-8-13(3)19-18)20-15-7-5-4-6-14(17)11-15/h4-11,15,19H,18H2,1-3H3/b13-8+,16-9+
InChIKeyNRQVCEAODHUIGW-CTWANCMXSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.57
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-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine?
The IUPAC name of [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine (CID 134448703) is [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine.
What is the SMILES notation for [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine?
The canonical SMILES for [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine is CC(C)=C/C(=C\C=C(/C)NN)OC1C=CC=CC(F)=C1.
What is the InChIKey of [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine?
The InChIKey is NRQVCEAODHUIGW-CTWANCMXSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12(2)10-16(9-8-13(3)19-18)20-15-7-5-4-6-14(17)11-15/h4-11,15,19H,18H2,1-3H3/b13-8+,16-9+.
What are the key properties of [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine?
[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine has a molecular weight of 276.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine is sourced from PubChem (CID 134448703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).