[(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine

C13H14F2N2O — CID 134448633

IUPAC[(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine
SMILESC/C=C/C(=C\C=C\NN)Oc1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O/c1-2-5-10(6-4-9-17-16)18-12-8-3-7-11(14)13(12)15/h2-9,17H,16H2,1H3/b5-2+,9-4+,10-6+
InChIKeyNMDCTHXFYLSRCL-IESFIAFHSA-N
MW252.26 g/mol
LogP2.78
Rot. Bonds5

About [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine

[(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine (PubChem CID 134448633) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine.

Molecular Properties

Compound Name[(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine
PubChem CID134448633
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name[(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine
SMILESC/C=C/C(=C\C=C\NN)Oc1cccc(F)c1F
InChIInChI=1S/C13H14F2N2O/c1-2-5-10(6-4-9-17-16)18-12-8-3-7-11(14)13(12)15/h2-9,17H,16H2,1H3/b5-2+,9-4+,10-6+
InChIKeyNMDCTHXFYLSRCL-IESFIAFHSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.78
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 [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine?
The IUPAC name of [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine (CID 134448633) is [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine.
What is the SMILES notation for [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine?
The canonical SMILES for [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine is C/C=C/C(=C\C=C\NN)Oc1cccc(F)c1F.
What is the InChIKey of [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine?
The InChIKey is NMDCTHXFYLSRCL-IESFIAFHSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-5-10(6-4-9-17-16)18-12-8-3-7-11(14)13(12)15/h2-9,17H,16H2,1H3/b5-2+,9-4+,10-6+.
What are the key properties of [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine?
[(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine has a molecular weight of 252.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5E)-4-(2,3-difluorophenoxy)hepta-1,3,5-trienyl]hydrazine is sourced from PubChem (CID 134448633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).