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

C12H16BrFN2 — CID 105281036

IUPAC[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2/c1-3-8(2)6-12(16-15)10-5-4-9(13)7-11(10)14/h4-5,7,12,16H,2-3,6,15H2,1H3
InChIKeyHMGXMOYSSGGARJ-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.45
Rot. Bonds5

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

[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine (PubChem CID 105281036) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine
PubChem CID105281036
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine
SMILESC=C(CC)CC(NN)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2/c1-3-8(2)6-12(16-15)10-5-4-9(13)7-11(10)14/h4-5,7,12,16H,2-3,6,15H2,1H3
InChIKeyHMGXMOYSSGGARJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-bromo-2,6-difluorophenyl)-3-methylidenepentyl]hydrazine
CID 105320470
[1-(4-bromo-2-methoxyphenyl)-3-methylidenepentyl]hydrazine
CID 105320464
1-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylidenepentan-1-amine
CID 114894898
[1-(2-chloro-4-methylphenyl)-3-methylidenepentyl]hydrazine
CID 106860054
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
[1-(4-bromo-2-fluorophenyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105280879
[1-(4-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105280856
[1-(4-bromo-2-fluorophenyl)-3-ethylheptyl]hydrazine
CID 105280875
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
[1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105281009
[1-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105281068

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine (CID 105281036) is [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine is C=C(CC)CC(NN)c1ccc(Br)cc1F.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine?
The InChIKey is HMGXMOYSSGGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-3-8(2)6-12(16-15)10-5-4-9(13)7-11(10)14/h4-5,7,12,16H,2-3,6,15H2,1H3.
What are the key properties of [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine?
[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine has a molecular weight of 287.18 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine is sourced from PubChem (CID 105281036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).