2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate

C8H10F3NO2S — CID 11791335

IUPAC2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCc1cccs1
InChIInChI=1S/C6H9NS.C2HF3O2/c7-4-3-6-2-1-5-8-6;3-2(4,5)1(6)7/h1-2,5H,3-4,7H2;(H,6,7)
InChIKeyTZAWTHASICEPCZ-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.17
Rot. Bonds2

About 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate

2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate (PubChem CID 11791335) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate
PubChem CID11791335
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCc1cccs1
InChIInChI=1S/C6H9NS.C2HF3O2/c7-4-3-6-2-1-5-8-6;3-2(4,5)1(6)7/h1-2,5H,3-4,7H2;(H,6,7)
InChIKeyTZAWTHASICEPCZ-UHFFFAOYSA-N
XLogP-0.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate (CID 11791335) is 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]CCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate?
The InChIKey is TZAWTHASICEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C2HF3O2/c7-4-3-6-2-1-5-8-6;3-2(4,5)1(6)7/h1-2,5H,3-4,7H2;(H,6,7).
What are the key properties of 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate?
2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate has a molecular weight of 241.23 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 11791335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).