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

C13H19FN2O — CID 134449112

IUPAC[(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine
SMILESC=C/C(F)=C(\C=C)OC/C=C(C)\C(=C/C)NN
InChIInChI=1S/C13H19FN2O/c1-5-11(14)13(7-3)17-9-8-10(4)12(6-2)16-15/h5-8,16H,1,3,9,15H2,2,4H3/b10-8-,12-6+,13-11-
InChIKeySVCYHXWCGQBDSR-YIRVOPBHSA-N
MW238.31 g/mol
LogP2.87
Rot. Bonds7

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

[(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine (PubChem CID 134449112) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine.

Molecular Properties

Compound Name[(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine
PubChem CID134449112
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine
SMILESC=C/C(F)=C(\C=C)OC/C=C(C)\C(=C/C)NN
InChIInChI=1S/C13H19FN2O/c1-5-11(14)13(7-3)17-9-8-10(4)12(6-2)16-15/h5-8,16H,1,3,9,15H2,2,4H3/b10-8-,12-6+,13-11-
InChIKeySVCYHXWCGQBDSR-YIRVOPBHSA-N
XLogP2.87
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
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'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine?
The IUPAC name of [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine (CID 134449112) is [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine.
What is the SMILES notation for [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine?
The canonical SMILES for [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine is C=C/C(F)=C(\C=C)OC/C=C(C)\C(=C/C)NN.
What is the InChIKey of [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine?
The InChIKey is SVCYHXWCGQBDSR-YIRVOPBHSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-5-11(14)13(7-3)17-9-8-10(4)12(6-2)16-15/h5-8,16H,1,3,9,15H2,2,4H3/b10-8-,12-6+,13-11-.
What are the key properties of [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine?
[(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine has a molecular weight of 238.31 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 [(2E,4Z)-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]oxy-4-methylhexa-2,4-dien-3-yl]hydrazine is sourced from PubChem (CID 134449112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).