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

C15H21FN2O — CID 134449501

IUPAC[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine
SMILESC=C/C=C(\C=C(\C)C(C)OC1C=CC=CC1F)NN
InChIInChI=1S/C15H21FN2O/c1-4-7-13(18-17)10-11(2)12(3)19-15-9-6-5-8-14(15)16/h4-10,12,14-15,18H,1,17H2,2-3H3/b11-10-,13-7+
InChIKeyYYONTNZKCYFTBJ-PCGFSOLGSA-N
MW264.34 g/mol
LogP2.70
Rot. Bonds6

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

[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine (PubChem CID 134449501) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine
PubChem CID134449501
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine
SMILESC=C/C=C(\C=C(\C)C(C)OC1C=CC=CC1F)NN
InChIInChI=1S/C15H21FN2O/c1-4-7-13(18-17)10-11(2)12(3)19-15-9-6-5-8-14(15)16/h4-10,12,14-15,18H,1,17H2,2-3H3/b11-10-,13-7+
InChIKeyYYONTNZKCYFTBJ-PCGFSOLGSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine?
The IUPAC name of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine (CID 134449501) is [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine.
What is the SMILES notation for [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine?
The canonical SMILES for [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine is C=C/C=C(\C=C(\C)C(C)OC1C=CC=CC1F)NN.
What is the InChIKey of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine?
The InChIKey is YYONTNZKCYFTBJ-PCGFSOLGSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-7-13(18-17)10-11(2)12(3)19-15-9-6-5-8-14(15)16/h4-10,12,14-15,18H,1,17H2,2-3H3/b11-10-,13-7+.
What are the key properties of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine?
[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine has a molecular weight of 264.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-6-methylocta-1,3,5-trien-4-yl]hydrazine is sourced from PubChem (CID 134449501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).