[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine

C12H17F3N2OS — CID 114222154

IUPAC[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
SMILESCSCC(C)C(NN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H17F3N2OS/c1-8(7-19-2)11(17-16)9-5-3-4-6-10(9)18-12(13,14)15/h3-6,8,11,17H,7,16H2,1-2H3
InChIKeyLWUBEHNXYZVQKM-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.09
Rot. Bonds6

About [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine

[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine (PubChem CID 114222154) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
PubChem CID114222154
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
SMILESCSCC(C)C(NN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H17F3N2OS/c1-8(7-19-2)11(17-16)9-5-3-4-6-10(9)18-12(13,14)15/h3-6,8,11,17H,7,16H2,1-2H3
InChIKeyLWUBEHNXYZVQKM-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240
[2-methoxy-1-[2-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105271821
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine?
The IUPAC name of [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine (CID 114222154) is [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine.
What is the SMILES notation for [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine?
The canonical SMILES for [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine is CSCC(C)C(NN)c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine?
The InChIKey is LWUBEHNXYZVQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-8(7-19-2)11(17-16)9-5-3-4-6-10(9)18-12(13,14)15/h3-6,8,11,17H,7,16H2,1-2H3.
What are the key properties of [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine?
[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine has a molecular weight of 294.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine is sourced from PubChem (CID 114222154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).