[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine

C13H14ClFN2O — CID 146577554

IUPAC[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine
SMILESC=C/C=C\C(Oc1ccc(NN)c(F)c1)=C(/C)Cl
InChIInChI=1S/C13H14ClFN2O/c1-3-4-5-13(9(2)14)18-10-6-7-12(17-16)11(15)8-10/h3-8,17H,1,16H2,2H3/b5-4-,13-9-
InChIKeyPPMJGJHIWIHWKZ-CVIOMZKKSA-N
MW268.72 g/mol
LogP3.70
Rot. Bonds5

About [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine

[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine (PubChem CID 146577554) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine
PubChem CID146577554
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine
SMILESC=C/C=C\C(Oc1ccc(NN)c(F)c1)=C(/C)Cl
InChIInChI=1S/C13H14ClFN2O/c1-3-4-5-13(9(2)14)18-10-6-7-12(17-16)11(15)8-10/h3-8,17H,1,16H2,2H3/b5-4-,13-9-
InChIKeyPPMJGJHIWIHWKZ-CVIOMZKKSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.70
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 [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine?
The IUPAC name of [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine (CID 146577554) is [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine.
What is the SMILES notation for [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine?
The canonical SMILES for [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine is C=C/C=C\C(Oc1ccc(NN)c(F)c1)=C(/C)Cl.
What is the InChIKey of [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine?
The InChIKey is PPMJGJHIWIHWKZ-CVIOMZKKSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-3-4-5-13(9(2)14)18-10-6-7-12(17-16)11(15)8-10/h3-8,17H,1,16H2,2H3/b5-4-,13-9-.
What are the key properties of [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine?
[4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine has a molecular weight of 268.72 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2Z,4Z)-2-chlorohepta-2,4,6-trien-3-yl]oxy-2-fluorophenyl]hydrazine is sourced from PubChem (CID 146577554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).