[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine

C11H15BrClFN2S — CID 106765272

IUPAC[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCC(C)SCC(NN)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H15BrClFN2S/c1-6(2)17-5-9(16-15)7-3-4-8(12)10(13)11(7)14/h3-4,6,9,16H,5,15H2,1-2H3
InChIKeyDJHJCSAECQAVJN-UHFFFAOYSA-N
MW341.68 g/mol
LogP3.89
Rot. Bonds5

About [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 106765272) has the molecular formula C11H15BrClFN2S and a molecular weight of 341.68 g/mol. Its IUPAC name is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine
PubChem CID106765272
Molecular FormulaC11H15BrClFN2S
Molecular Weight341.68 g/mol
Exact Mass339.98
IUPAC Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCC(C)SCC(NN)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H15BrClFN2S/c1-6(2)17-5-9(16-15)7-3-4-8(12)10(13)11(7)14/h3-4,6,9,16H,5,15H2,1-2H3
InChIKeyDJHJCSAECQAVJN-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine
CID 106765297
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106765612
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-ethylbutyl]hydrazine
CID 106765455
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 106765549
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-bromophenyl)ethyl]hydrazine
CID 106765205
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106762580
[1-(4-bromo-3-chloro-2-fluorophenyl)-2,2-dimethoxyethyl]hydrazine
CID 106765325
1-(4-bromo-3-chloro-2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 106762511
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methylheptan-1-amine
CID 106764947
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 106764869

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 106765272) is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine is CC(C)SCC(NN)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is DJHJCSAECQAVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClFN2S/c1-6(2)17-5-9(16-15)7-3-4-8(12)10(13)11(7)14/h3-4,6,9,16H,5,15H2,1-2H3.
What are the key properties of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 341.68 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 106765272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).