[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine

C13H20BrFN2 — CID 105280659

IUPAC[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1cc(Br)ccc1F
InChIInChI=1S/C13H20BrFN2/c1-3-4-9(2)7-13(17-16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyHOPCTUOXQXCFMZ-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.92
Rot. Bonds6

About [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine

[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine (PubChem CID 105280659) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
PubChem CID105280659
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1cc(Br)ccc1F
InChIInChI=1S/C13H20BrFN2/c1-3-4-9(2)7-13(17-16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyHOPCTUOXQXCFMZ-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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-(5-bromo-2-fluorophenyl)-3-ethylpentyl]hydrazine
CID 105280759
[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
CID 105264096
[1-(3,4-difluorophenyl)-3-methylhexyl]hydrazine
CID 105197095
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
[1-(2-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105256894
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055
1-(5-bromo-2-fluorophenyl)but-3-ynylhydrazine
CID 105280681
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
CID 105279490
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
[1-(2-bromo-5-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298218
1-(5-bromo-2-methylphenyl)butylhydrazine
CID 105282216
1-(2,4-dibromophenyl)-N,3-dimethylhexan-1-amine
CID 107945526

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine (CID 105280659) is [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine is CCCC(C)CC(NN)c1cc(Br)ccc1F.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine?
The InChIKey is HOPCTUOXQXCFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-3-4-9(2)7-13(17-16)11-8-10(14)5-6-12(11)15/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3.
What are the key properties of [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine?
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine has a molecular weight of 303.22 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine is sourced from PubChem (CID 105280659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).