[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine

C11H16BrFN2O — CID 105342587

IUPAC[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1cc(F)ccc1Br
InChIInChI=1S/C11H16BrFN2O/c1-16-6-2-3-11(15-14)9-7-8(13)4-5-10(9)12/h4-5,7,11,15H,2-3,6,14H2,1H3
InChIKeyXJPBFPUGXMMLKP-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.52
Rot. Bonds6

About [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine

[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine (PubChem CID 105342587) has the molecular formula C11H16BrFN2O and a molecular weight of 291.16 g/mol. Its IUPAC name is [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
PubChem CID105342587
Molecular FormulaC11H16BrFN2O
Molecular Weight291.16 g/mol
Exact Mass290.04
IUPAC Name[1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)c1cc(F)ccc1Br
InChIInChI=1S/C11H16BrFN2O/c1-16-6-2-3-11(15-14)9-7-8(13)4-5-10(9)12/h4-5,7,11,15H,2-3,6,14H2,1H3
InChIKeyXJPBFPUGXMMLKP-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-(4-bromo-2-methoxyphenyl)-4-methoxybutyl]hydrazine
CID 105342619
[4-methoxy-1-(2,3,4-trifluorophenyl)butyl]hydrazine
CID 105224914
[1-(2-bromo-6-fluorophenyl)-4-methoxybutyl]hydrazine
CID 105280471
[1-(5-fluoro-2-methylphenyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929783
[1-(2,5-dibromothiophen-3-yl)-4-methoxybutyl]hydrazine
CID 107970665
[1-(2-chlorophenyl)-4-methoxybutyl]hydrazine
CID 105211131
1-(5-fluoro-2-methoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 82769055
1-(2-bromo-5-fluorophenyl)-N-methylhexan-1-amine
CID 115837109
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
1-(5-fluoro-2-methylphenyl)-4-methoxybutan-1-ol
CID 62606584
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine (CID 105342587) is [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine is COCCCC(NN)c1cc(F)ccc1Br.
What is the InChIKey of [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine?
The InChIKey is XJPBFPUGXMMLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O/c1-16-6-2-3-11(15-14)9-7-8(13)4-5-10(9)12/h4-5,7,11,15H,2-3,6,14H2,1H3.
What are the key properties of [1-(2-bromo-5-fluorophenyl)-4-methoxybutyl]hydrazine?
[1-(2-bromo-5-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-5-fluorophenyl)-4-methoxybutyl]hydrazine is sourced from PubChem (CID 105342587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).