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

C12H18BrFN2S — CID 105225719

IUPAC[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1cc(Br)ccc1F)NN
InChIInChI=1S/C12H18BrFN2S/c1-2-5-17-8-11(16-15)7-9-6-10(13)3-4-12(9)14/h3-4,6,11,16H,2,5,7-8,15H2,1H3
InChIKeyFIXKTRSHYBYKPY-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.11
Rot. Bonds7

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

[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225719) has the molecular formula C12H18BrFN2S and a molecular weight of 321.26 g/mol. Its IUPAC name is [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
PubChem CID105225719
Molecular FormulaC12H18BrFN2S
Molecular Weight321.26 g/mol
Exact Mass320.04
IUPAC Name[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
SMILESCCCSCC(Cc1cc(Br)ccc1F)NN
InChIInChI=1S/C12H18BrFN2S/c1-2-5-17-8-11(16-15)7-9-6-10(13)3-4-12(9)14/h3-4,6,11,16H,2,5,7-8,15H2,1H3
InChIKeyFIXKTRSHYBYKPY-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-bromo-2-fluorophenyl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65128799
1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128761
[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225209
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
[1-(2-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225904
[1-(5-bromo-2-fluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 105235622
[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226723
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
[1-(5-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105294969
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine (CID 105225719) is [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine is CCCSCC(Cc1cc(Br)ccc1F)NN.
What is the InChIKey of [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
The InChIKey is FIXKTRSHYBYKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2S/c1-2-5-17-8-11(16-15)7-9-6-10(13)3-4-12(9)14/h3-4,6,11,16H,2,5,7-8,15H2,1H3.
What are the key properties of [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine?
[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine has a molecular weight of 321.26 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).