[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine

C13H19F3N2OS — CID 105227240

IUPAC[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H19F3N2OS/c1-3-9(2)20-8-11(18-17)10-6-4-5-7-12(10)19-13(14,15)16/h4-7,9,11,18H,3,8,17H2,1-2H3
InChIKeyIPBCSCMHTVJKGK-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.62
Rot. Bonds7

About [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine

[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105227240) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105227240
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESCCC(C)SCC(NN)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H19F3N2OS/c1-3-9(2)20-8-11(18-17)10-6-4-5-7-12(10)19-13(14,15)16/h4-7,9,11,18H,3,8,17H2,1-2H3
InChIKeyIPBCSCMHTVJKGK-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.62
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-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408
[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 114222154
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
[1-(2-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226155
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105227053
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301456

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105227240) is [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine is CCC(C)SCC(NN)c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is IPBCSCMHTVJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-3-9(2)20-8-11(18-17)10-6-4-5-7-12(10)19-13(14,15)16/h4-7,9,11,18H,3,8,17H2,1-2H3.
What are the key properties of [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 308.37 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105227240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).