[(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine

C15H19FN2O — CID 134448682

IUPAC[(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine
SMILESC#C/C(F)=C(NN)\C(C)=C/CO/C(C=C)=C/C=C\C
InChIInChI=1S/C15H19FN2O/c1-5-8-9-13(6-2)19-11-10-12(4)15(18-17)14(16)7-3/h3,5-6,8-10,18H,2,11,17H2,1,4H3/b8-5-,12-10-,13-9+,15-14-
InChIKeyRGITXPZEMCTKLL-NTYQFJCWSA-N
MW262.33 g/mol
LogP2.87
Rot. Bonds7

About [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine

[(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine (PubChem CID 134448682) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine.

Molecular Properties

Compound Name[(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine
PubChem CID134448682
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name[(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine
SMILESC#C/C(F)=C(NN)\C(C)=C/CO/C(C=C)=C/C=C\C
InChIInChI=1S/C15H19FN2O/c1-5-8-9-13(6-2)19-11-10-12(4)15(18-17)14(16)7-3/h3,5-6,8-10,18H,2,11,17H2,1,4H3/b8-5-,12-10-,13-9+,15-14-
InChIKeyRGITXPZEMCTKLL-NTYQFJCWSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.87
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
The IUPAC name of [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine (CID 134448682) is [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine.
What is the SMILES notation for [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
The canonical SMILES for [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine is C#C/C(F)=C(NN)\C(C)=C/CO/C(C=C)=C/C=C\C.
What is the InChIKey of [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
The InChIKey is RGITXPZEMCTKLL-NTYQFJCWSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-5-8-9-13(6-2)19-11-10-12(4)15(18-17)14(16)7-3/h3,5-6,8-10,18H,2,11,17H2,1,4H3/b8-5-,12-10-,13-9+,15-14-.
What are the key properties of [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
[(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine has a molecular weight of 262.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-3-fluoro-7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine is sourced from PubChem (CID 134448682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).