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

C11H16BrFN2S — CID 105225209

IUPAC[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
SMILESCCSCC(Cc1ccc(Br)cc1F)NN
InChIInChI=1S/C11H16BrFN2S/c1-2-16-7-10(15-14)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,15H,2,5,7,14H2,1H3
InChIKeyBJKZGFMZQROEDY-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.72
Rot. Bonds6

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

[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225209) has the molecular formula C11H16BrFN2S and a molecular weight of 307.23 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
PubChem CID105225209
Molecular FormulaC11H16BrFN2S
Molecular Weight307.23 g/mol
Exact Mass306.02
IUPAC Name[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
SMILESCCSCC(Cc1ccc(Br)cc1F)NN
InChIInChI=1S/C11H16BrFN2S/c1-2-16-7-10(15-14)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,15H,2,5,7,14H2,1H3
InChIKeyBJKZGFMZQROEDY-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225719
[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105297513
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081
[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 102623322
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
[1-(4-bromothiophen-2-yl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225472
[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250426
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105137196
1-(2,4-difluorophenyl)butan-2-ylhydrazine
CID 105201098
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine (CID 105225209) is [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine is CCSCC(Cc1ccc(Br)cc1F)NN.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
The InChIKey is BJKZGFMZQROEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2S/c1-2-16-7-10(15-14)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,15H,2,5,7,14H2,1H3.
What are the key properties of [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine?
[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine has a molecular weight of 307.23 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).