[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine

C14H12Br3FN2 — CID 114019518

IUPAC[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br3FN2/c15-9-2-3-10(11(16)7-9)14(20-19)6-8-1-4-13(18)12(17)5-8/h1-5,7,14,20H,6,19H2
InChIKeyWGSGEJVFXMEQDN-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.86
Rot. Bonds4

About [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine

[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine (PubChem CID 114019518) has the molecular formula C14H12Br3FN2 and a molecular weight of 466.97 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
PubChem CID114019518
Molecular FormulaC14H12Br3FN2
Molecular Weight466.97 g/mol
Exact Mass463.85
IUPAC Name[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br3FN2/c15-9-2-3-10(11(16)7-9)14(20-19)6-8-1-4-13(18)12(17)5-8/h1-5,7,14,20H,6,19H2
InChIKeyWGSGEJVFXMEQDN-UHFFFAOYSA-N
XLogP4.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine (CID 114019518) is [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine is NNC(Cc1ccc(F)c(Br)c1)c1ccc(Br)cc1Br.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine?
The InChIKey is WGSGEJVFXMEQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3FN2/c15-9-2-3-10(11(16)7-9)14(20-19)6-8-1-4-13(18)12(17)5-8/h1-5,7,14,20H,6,19H2.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine?
[2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine has a molecular weight of 466.97 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)-1-(2,4-dibromophenyl)ethyl]hydrazine is sourced from PubChem (CID 114019518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).