2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C6H9F6NS2 — CID 75406368

IUPAC2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)SCCNCCSC(F)(F)F
InChIInChI=1S/C6H9F6NS2/c7-5(8,9)14-3-1-13-2-4-15-6(10,11)12/h13H,1-4H2
InChIKeyFREAGSXHPAGADH-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.08
Rot. Bonds6

About 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 75406368) has the molecular formula C6H9F6NS2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID75406368
Molecular FormulaC6H9F6NS2
Molecular Weight273.27 g/mol
Exact Mass273.01
IUPAC Name2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)SCCNCCSC(F)(F)F
InChIInChI=1S/C6H9F6NS2/c7-5(8,9)14-3-1-13-2-4-15-6(10,11)12/h13H,1-4H2
InChIKeyFREAGSXHPAGADH-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 75406368) is 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is FC(F)(F)SCCNCCSC(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is FREAGSXHPAGADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NS2/c7-5(8,9)14-3-1-13-2-4-15-6(10,11)12/h13H,1-4H2.
What are the key properties of 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 273.27 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 75406368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).