[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine

C11H16BrFN2O — CID 105280471

IUPAC[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1c(F)cccc1Br
InChIInChI=1S/C11H16BrFN2O/c1-16-7-3-6-10(15-14)11-8(12)4-2-5-9(11)13/h2,4-5,10,15H,3,6-7,14H2,1H3
InChIKeyKKGOQPCGLUTSMX-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.52
Rot. Bonds6

About [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine

[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine (PubChem CID 105280471) has the molecular formula C11H16BrFN2O and a molecular weight of 291.16 g/mol. Its IUPAC name is [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
PubChem CID105280471
Molecular FormulaC11H16BrFN2O
Molecular Weight291.16 g/mol
Exact Mass290.04
IUPAC Name[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1c(F)cccc1Br
InChIInChI=1S/C11H16BrFN2O/c1-16-7-3-6-10(15-14)11-8(12)4-2-5-9(11)13/h2,4-5,10,15H,3,6-7,14H2,1H3
InChIKeyKKGOQPCGLUTSMX-UHFFFAOYSA-N
XLogP2.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 114887116
[1-(2,6-dimethoxyphenyl)-4-methoxybutyl]hydrazine
CID 105225087
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
CID 114887178
[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105342587
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948
1-(2-fluoro-6-methoxyphenyl)oct-7-enylhydrazine
CID 107012577
[1-(2-bromo-6-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethyl]hydrazine
CID 106868426
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine
CID 112754856

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine?
The IUPAC name of [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine (CID 105280471) is [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine?
The canonical SMILES for [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine is COCCCC(NN)c1c(F)cccc1Br.
What is the InChIKey of [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine?
The InChIKey is KKGOQPCGLUTSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O/c1-16-7-3-6-10(15-14)11-8(12)4-2-5-9(11)13/h2,4-5,10,15H,3,6-7,14H2,1H3.
What are the key properties of [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine?
[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine has a molecular weight of 291.16 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine is sourced from PubChem (CID 105280471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).