[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine

C11H15F3N2S — CID 105302324

IUPAC[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCSCCC(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2S/c1-17-7-6-10(16-15)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,6-7,15H2,1H3
InChIKeyCHZBJVMYNPYVTH-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.96
Rot. Bonds5

About [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine

[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 105302324) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID105302324
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCSCCC(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2S/c1-17-7-6-10(16-15)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,6-7,15H2,1H3
InChIKeyCHZBJVMYNPYVTH-UHFFFAOYSA-N
XLogP2.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.96
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

[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345
[1-(4-fluorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105284085
3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 105142670
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105300238
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
CID 105333301
[3-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302363
[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
[3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302330

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine (CID 105302324) is [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine is CSCCC(NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is CHZBJVMYNPYVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-17-7-6-10(16-15)8-2-4-9(5-3-8)11(12,13)14/h2-5,10,16H,6-7,15H2,1H3.
What are the key properties of [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine has a molecular weight of 264.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 105302324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).