2-thiophen-2-yl-N-(trifluoromethyl)ethanamine

C7H8F3NS — CID 66739444

IUPAC2-thiophen-2-yl-N-(trifluoromethyl)ethanamine
SMILESFC(F)(F)NCCc1cccs1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)11-4-3-6-2-1-5-12-6/h1-2,5,11H,3-4H2
InChIKeyXLNWBFCVEGPJKG-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.40
Rot. Bonds3

About 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine

2-thiophen-2-yl-N-(trifluoromethyl)ethanamine (PubChem CID 66739444) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(trifluoromethyl)ethanamine
PubChem CID66739444
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name2-thiophen-2-yl-N-(trifluoromethyl)ethanamine
SMILESFC(F)(F)NCCc1cccs1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)11-4-3-6-2-1-5-12-6/h1-2,5,11H,3-4H2
InChIKeyXLNWBFCVEGPJKG-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine?
The IUPAC name of 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine (CID 66739444) is 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine?
The canonical SMILES for 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine is FC(F)(F)NCCc1cccs1.
What is the InChIKey of 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine?
The InChIKey is XLNWBFCVEGPJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c8-7(9,10)11-4-3-6-2-1-5-12-6/h1-2,5,11H,3-4H2.
What are the key properties of 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine?
2-thiophen-2-yl-N-(trifluoromethyl)ethanamine has a molecular weight of 195.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(trifluoromethyl)ethanamine is sourced from PubChem (CID 66739444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).