1-(2-bromo-3-fluorophenyl)undecylhydrazine

C17H28BrFN2 — CID 105298339

IUPAC1-(2-bromo-3-fluorophenyl)undecylhydrazine
SMILESCCCCCCCCCCC(NN)c1cccc(F)c1Br
InChIInChI=1S/C17H28BrFN2/c1-2-3-4-5-6-7-8-9-13-16(21-20)14-11-10-12-15(19)17(14)18/h10-12,16,21H,2-9,13,20H2,1H3
InChIKeyGEYOWSFVSJCKKU-UHFFFAOYSA-N
MW359.33 g/mol
LogP5.62
Rot. Bonds11

About 1-(2-bromo-3-fluorophenyl)undecylhydrazine

1-(2-bromo-3-fluorophenyl)undecylhydrazine (PubChem CID 105298339) has the molecular formula C17H28BrFN2 and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)undecylhydrazine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)undecylhydrazine
PubChem CID105298339
Molecular FormulaC17H28BrFN2
Molecular Weight359.33 g/mol
Exact Mass358.14
IUPAC Name1-(2-bromo-3-fluorophenyl)undecylhydrazine
SMILESCCCCCCCCCCC(NN)c1cccc(F)c1Br
InChIInChI=1S/C17H28BrFN2/c1-2-3-4-5-6-7-8-9-13-16(21-20)14-11-10-12-15(19)17(14)18/h10-12,16,21H,2-9,13,20H2,1H3
InChIKeyGEYOWSFVSJCKKU-UHFFFAOYSA-N
XLogP5.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.33
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-bromo-3-fluorophenyl)-N-methylheptan-1-amine
CID 115833205
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
1-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
1-(2-bromo-3-fluorophenyl)nonan-1-amine
CID 115835760
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334
[1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287879
2-(1-hydrazinylheptyl)phenol
CID 155127911

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)undecylhydrazine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)undecylhydrazine (CID 105298339) is 1-(2-bromo-3-fluorophenyl)undecylhydrazine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)undecylhydrazine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)undecylhydrazine is CCCCCCCCCCC(NN)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)undecylhydrazine?
The InChIKey is GEYOWSFVSJCKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrFN2/c1-2-3-4-5-6-7-8-9-13-16(21-20)14-11-10-12-15(19)17(14)18/h10-12,16,21H,2-9,13,20H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)undecylhydrazine?
1-(2-bromo-3-fluorophenyl)undecylhydrazine has a molecular weight of 359.33 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)undecylhydrazine is sourced from PubChem (CID 105298339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).