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

C12H18BrFN2O — CID 105270647

IUPAC[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
SMILESCCC(OC)C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C12H18BrFN2O/c1-3-12(17-2)11(16-15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11-12,16H,3,6,15H2,1-2H3
InChIKeyCUQPMSGTEHVBQD-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.39
Rot. Bonds6

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

[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine (PubChem CID 105270647) has the molecular formula C12H18BrFN2O and a molecular weight of 305.19 g/mol. Its IUPAC name is [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
PubChem CID105270647
Molecular FormulaC12H18BrFN2O
Molecular Weight305.19 g/mol
Exact Mass304.06
IUPAC Name[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine
SMILESCCC(OC)C(Cc1ccc(F)cc1Br)NN
InChIInChI=1S/C12H18BrFN2O/c1-3-12(17-2)11(16-15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11-12,16H,3,6,15H2,1-2H3
InChIKeyCUQPMSGTEHVBQD-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': '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-ethylpentan-2-yl]hydrazine
CID 105296590
[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-(5-bromo-2-methoxyphenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270725
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
[1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202997
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
[1-(2,5-dichlorophenyl)-3-methoxypentan-2-yl]hydrazine
CID 105270834
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
1-(4-bromo-2-fluorophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715352
[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine (CID 105270647) is [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine is CCC(OC)C(Cc1ccc(F)cc1Br)NN.
What is the InChIKey of [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine?
The InChIKey is CUQPMSGTEHVBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O/c1-3-12(17-2)11(16-15)6-8-4-5-9(14)7-10(8)13/h4-5,7,11-12,16H,3,6,15H2,1-2H3.
What are the key properties of [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine?
[1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine has a molecular weight of 305.19 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-4-fluorophenyl)-3-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).