[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine

C13H20BrFN2 — CID 105296590

IUPAC[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
SMILESCCC(CC)C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C13H20BrFN2/c1-3-9(4-2)13(17-16)7-10-5-6-11(15)8-12(10)14/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyYQYGPTNMXFSYAB-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.40
Rot. Bonds6

About [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine

[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine (PubChem CID 105296590) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
PubChem CID105296590
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
SMILESCCC(CC)C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C13H20BrFN2/c1-3-9(4-2)13(17-16)7-10-5-6-11(15)8-12(10)14/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyYQYGPTNMXFSYAB-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.40
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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Related Compounds

[1-(2-bromo-4-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105296661
1-(2-bromo-4-fluorophenyl)-N,3-diethylpentan-2-amine
CID 115843078
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270647
[1-(2-chloro-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105216074
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
[3-ethyl-1-(4-fluorophenyl)pentan-2-yl]hydrazine
CID 105198180
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
[1-(2-bromo-4-fluorophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105296748
[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
[2-(2-bromo-4-fluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194059
[2-(2-bromo-4-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253344

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine (CID 105296590) is [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine is CCC(CC)C(Cc1ccc(F)cc1Br)NN.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine?
The InChIKey is YQYGPTNMXFSYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-3-9(4-2)13(17-16)7-10-5-6-11(15)8-12(10)14/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine has a molecular weight of 303.22 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-3-ethylpentan-2-yl]hydrazine is sourced from PubChem (CID 105296590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).