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

C11H15F3N2S — CID 105301345

IUPAC[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCSCCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2S/c1-17-6-5-10(16-15)8-3-2-4-9(7-8)11(12,13)14/h2-4,7,10,16H,5-6,15H2,1H3
InChIKeyRFZQJAJAWCNUOX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.96
Rot. Bonds5

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

[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 105301345) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID105301345
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESCSCCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2S/c1-17-6-5-10(16-15)8-3-2-4-9(7-8)11(12,13)14/h2-4,7,10,16H,5-6,15H2,1H3
InChIKeyRFZQJAJAWCNUOX-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-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
CID 103025278
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193830
[1-(3-cyclopropyloxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105341132
[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105300238
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
[2-(4-methyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193895

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine (CID 105301345) is [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine is CSCCC(NN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is RFZQJAJAWCNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-17-6-5-10(16-15)8-3-2-4-9(7-8)11(12,13)14/h2-4,7,10,16H,5-6,15H2,1H3.
What are the key properties of [3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine?
[3-methylsulfanyl-1-[3-(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-[3-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 105301345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).