[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine

C11H16F2N2S — CID 105330380

IUPAC[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C11H16F2N2S/c1-16-5-4-9(15-14)6-8-2-3-10(12)11(13)7-8/h2-3,7,9,15H,4-6,14H2,1H3
InChIKeyQASYKMWZSIAPCJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.09
Rot. Bonds6

About [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine

[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine (PubChem CID 105330380) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
PubChem CID105330380
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
SMILESCSCCC(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C11H16F2N2S/c1-16-5-4-9(15-14)6-8-2-3-10(12)11(13)7-8/h2-3,7,9,15H,4-6,14H2,1H3
InChIKeyQASYKMWZSIAPCJ-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.09
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-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105330394
1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-(3-chloro-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 103043196
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
[1-(3,4-difluorophenyl)-4-ethyloctan-2-yl]hydrazine
CID 105288434
[1-cyclobutyl-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105310203
[1-(3,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105296513
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine (CID 105330380) is [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine is CSCCC(Cc1ccc(F)c(F)c1)NN.
What is the InChIKey of [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
The InChIKey is QASYKMWZSIAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c1-16-5-4-9(15-14)6-8-2-3-10(12)11(13)7-8/h2-3,7,9,15H,4-6,14H2,1H3.
What are the key properties of [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine?
[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine has a molecular weight of 246.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine is sourced from PubChem (CID 105330380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).