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

C16H25FN2O — CID 134448729

IUPAC[(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine
SMILESC=C/C(F)=C(\C=C/C)O/C(=C/C=C(/NN)C(C)C)CC
InChIInChI=1S/C16H25FN2O/c1-6-9-16(14(17)8-3)20-13(7-2)10-11-15(19-18)12(4)5/h6,8-12,19H,3,7,18H2,1-2,4-5H3/b9-6-,13-10+,15-11+,16-14-
InChIKeyWPXKYLIHSSGPAA-LFTAFDMESA-N
MW280.39 g/mol
LogP4.24
Rot. Bonds8

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

[(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine (PubChem CID 134448729) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine
PubChem CID134448729
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine
SMILESC=C/C(F)=C(\C=C/C)O/C(=C/C=C(/NN)C(C)C)CC
InChIInChI=1S/C16H25FN2O/c1-6-9-16(14(17)8-3)20-13(7-2)10-11-15(19-18)12(4)5/h6,8-12,19H,3,7,18H2,1-2,4-5H3/b9-6-,13-10+,15-11+,16-14-
InChIKeyWPXKYLIHSSGPAA-LFTAFDMESA-N
XLogP4.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.24
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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Related Compounds

[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine
CID 134448503
[(2Z,4Z)-2-fluoro-6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine
CID 134448608
[(2Z,4Z)-5-fluoro-1-[(3E)-hexa-1,3,5-trien-3-yl]oxy-3-methylhepta-2,4-dien-4-yl]hydrazine
CID 134448636
[(4Z)-6-[(3Z,5Z)-7-fluorohepta-1,3,5-trien-2-yl]oxy-2,4-dimethylhexa-2,4-dien-3-yl]hydrazine
CID 134448657
[(2E,4E)-5-(3-fluorocyclohepta-2,4,6-trien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine
CID 134448703
[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine
CID 134448730
[(2Z,4Z)-2-fluoro-6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-methylhepta-2,4,6-trien-3-yl]hydrazine
CID 134448741
[(2Z,4Z)-6-cyclohepta-1,3,6-trien-1-yloxy-2-fluoro-4-methylhexa-2,4-dien-3-yl]hydrazine
CID 134448862
[(2E,4E)-5-(6-fluorocyclohepta-2,4-dien-1-yl)oxy-7-methylocta-2,4,6-trien-2-yl]hydrazine
CID 134448986
[(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine
CID 134449112
[(2E,4E,6E)-5-[(3Z,5Z)-7-fluorohepta-3,5-dien-2-yl]oxyocta-2,4,6-trien-2-yl]hydrazine
CID 134449223
[(2E,4E)-5-(2-fluorocyclohexa-1,5-dien-1-yl)oxyocta-2,4-dien-2-yl]hydrazine
CID 134449266

Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine?
The IUPAC name of [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine (CID 134448729) is [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine.
What is the SMILES notation for [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine?
The canonical SMILES for [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine is C=C/C(F)=C(\C=C/C)O/C(=C/C=C(/NN)C(C)C)CC.
What is the InChIKey of [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine?
The InChIKey is WPXKYLIHSSGPAA-LFTAFDMESA-N. The full InChI is InChI=1S/C16H25FN2O/c1-6-9-16(14(17)8-3)20-13(7-2)10-11-15(19-18)12(4)5/h6,8-12,19H,3,7,18H2,1-2,4-5H3/b9-6-,13-10+,15-11+,16-14-.
What are the key properties of [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine?
[(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine has a molecular weight of 280.39 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-6-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]oxy-2-methylocta-3,5-dien-3-yl]hydrazine is sourced from PubChem (CID 134448729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).