[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine

C12H18BrFN2O — CID 105224905

IUPAC[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C12H18BrFN2O/c1-17-6-2-3-10(16-15)7-9-4-5-12(14)11(13)8-9/h4-5,8,10,16H,2-3,6-7,15H2,1H3
InChIKeyZWLMQLZWYLPEJS-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.39
Rot. Bonds7

About [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine

[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine (PubChem CID 105224905) has the molecular formula C12H18BrFN2O and a molecular weight of 305.19 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
PubChem CID105224905
Molecular FormulaC12H18BrFN2O
Molecular Weight305.19 g/mol
Exact Mass304.06
IUPAC Name[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1ccc(F)c(Br)c1)NN
InChIInChI=1S/C12H18BrFN2O/c1-17-6-2-3-10(16-15)7-9-4-5-12(14)11(13)8-9/h4-5,8,10,16H,2-3,6-7,15H2,1H3
InChIKeyZWLMQLZWYLPEJS-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.39
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-(3-bromo-4-fluorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105290427
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
[1-(3-bromo-4-fluorophenyl)-5-methoxy-4-methylpentan-2-yl]hydrazine
CID 105290502
1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
1-(3-bromo-4-fluorophenyl)pent-4-en-2-ylhydrazine
CID 105269572
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine (CID 105224905) is [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine is COCCCC(Cc1ccc(F)c(Br)c1)NN.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The InChIKey is ZWLMQLZWYLPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O/c1-17-6-2-3-10(16-15)7-9-4-5-12(14)11(13)8-9/h4-5,8,10,16H,2-3,6-7,15H2,1H3.
What are the key properties of [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine has a molecular weight of 305.19 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105224905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).