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

C10H13BrClFN2 — CID 106649111

IUPAC[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
SMILESNNC(CCCCl)c1cccc(Br)c1F
InChIInChI=1S/C10H13BrClFN2/c11-8-4-1-3-7(10(8)13)9(15-14)5-2-6-12/h1,3-4,9,15H,2,5-6,14H2
InChIKeyWGPTWRAXUDNGNX-UHFFFAOYSA-N
MW295.58 g/mol
LogP3.11
Rot. Bonds5

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

[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine (PubChem CID 106649111) has the molecular formula C10H13BrClFN2 and a molecular weight of 295.58 g/mol. Its IUPAC name is [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
PubChem CID106649111
Molecular FormulaC10H13BrClFN2
Molecular Weight295.58 g/mol
Exact Mass293.99
IUPAC Name[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine
SMILESNNC(CCCCl)c1cccc(Br)c1F
InChIInChI=1S/C10H13BrClFN2/c11-8-4-1-3-7(10(8)13)9(15-14)5-2-6-12/h1,3-4,9,15H,2,5-6,14H2
InChIKeyWGPTWRAXUDNGNX-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(3-bromo-2-fluorophenyl)octylhydrazine
CID 106649741
1-(3-bromo-2-fluorophenyl)butylhydrazine
CID 106648656
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
[4-chloro-1-(2-chlorophenyl)butyl]hydrazine
CID 105235482
[1-(3-bromo-2-fluorophenyl)-3-(3-methylphenoxy)propyl]hydrazine
CID 106649751
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 106648844
[1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107954306
[1-(3-bromo-2-fluorophenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107954375
[1-(3-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 106648688
1-(3-bromo-2-fluorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 106645629
[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 106649115

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine (CID 106649111) is [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine is NNC(CCCCl)c1cccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine?
The InChIKey is WGPTWRAXUDNGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClFN2/c11-8-4-1-3-7(10(8)13)9(15-14)5-2-6-12/h1,3-4,9,15H,2,5-6,14H2.
What are the key properties of [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine?
[1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine has a molecular weight of 295.58 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-fluorophenyl)-4-chlorobutyl]hydrazine is sourced from PubChem (CID 106649111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).