[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine

C13H20BrFN2 — CID 105264096

IUPAC[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H20BrFN2/c1-3-4-9(2)7-13(17-16)10-5-6-12(15)11(14)8-10/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyHVKFYZIGQMKBLO-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.92
Rot. Bonds6

About [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine

[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine (PubChem CID 105264096) has the molecular formula C13H20BrFN2 and a molecular weight of 303.22 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
PubChem CID105264096
Molecular FormulaC13H20BrFN2
Molecular Weight303.22 g/mol
Exact Mass302.08
IUPAC Name[1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine
SMILESCCCC(C)CC(NN)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H20BrFN2/c1-3-4-9(2)7-13(17-16)10-5-6-12(15)11(14)8-10/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3
InChIKeyHVKFYZIGQMKBLO-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-(3,4-difluorophenyl)-3-methylhexyl]hydrazine
CID 105197095
[1-(3-bromo-4-methylphenyl)-3-methylhexyl]hydrazine
CID 105298115
1-(3-bromo-4-fluorophenyl)-3-methylhexan-1-ol
CID 65147954
[1-(3-fluoro-4-methoxyphenyl)-3-methylhexyl]hydrazine
CID 105298243
[1-(5-bromo-2-fluorophenyl)-3-methylhexyl]hydrazine
CID 105280659
1-(4-bromo-3-fluorophenyl)-N,3-dimethylhexan-1-amine
CID 115845296
[1-(4-bromo-3,5-dimethylphenyl)-3-methylhexyl]hydrazine
CID 105279490
1-(3,4-difluorophenyl)-N-ethyl-3-methylhexan-1-amine
CID 63413122
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
1-(3-bromo-4-fluorophenyl)pent-4-enylhydrazine
CID 105264095

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine (CID 105264096) is [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine is CCCC(C)CC(NN)c1ccc(F)c(Br)c1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine?
The InChIKey is HVKFYZIGQMKBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2/c1-3-4-9(2)7-13(17-16)10-5-6-12(15)11(14)8-10/h5-6,8-9,13,17H,3-4,7,16H2,1-2H3.
What are the key properties of [1-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine?
[1-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-3-methylhexyl]hydrazine is sourced from PubChem (CID 105264096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).