2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine

C8H10F3NS2 — CID 62579011

IUPAC2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
SMILESFC(F)(F)CNCCSc1cccs1
InChIInChI=1S/C8H10F3NS2/c9-8(10,11)6-12-3-5-14-7-2-1-4-13-7/h1-2,4,12H,3,5-6H2
InChIKeyHLFZMOSWEGLTAM-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.99
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine

2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine (PubChem CID 62579011) has the molecular formula C8H10F3NS2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
PubChem CID62579011
Molecular FormulaC8H10F3NS2
Molecular Weight241.30 g/mol
Exact Mass241.02
IUPAC Name2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
SMILESFC(F)(F)CNCCSc1cccs1
InChIInChI=1S/C8H10F3NS2/c9-8(10,11)6-12-3-5-14-7-2-1-4-13-7/h1-2,4,12H,3,5-6H2
InChIKeyHLFZMOSWEGLTAM-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.99
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 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine (CID 62579011) is 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine is FC(F)(F)CNCCSc1cccs1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
The InChIKey is HLFZMOSWEGLTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS2/c9-8(10,11)6-12-3-5-14-7-2-1-4-13-7/h1-2,4,12H,3,5-6H2.
What are the key properties of 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine?
2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine has a molecular weight of 241.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-thiophen-2-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 62579011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).