2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide

C8H8F3NOS — CID 64592058

IUPAC2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C8H8F3NOS/c1-5(6-2-3-14-4-6)12-7(13)8(9,10)11/h2-5H,1H3,(H,12,13)
InChIKeySJUQCGJRFYQMPM-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.49
Rot. Bonds2

About 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide

2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide (PubChem CID 64592058) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide
PubChem CID64592058
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide
SMILESCC(NC(=O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C8H8F3NOS/c1-5(6-2-3-14-4-6)12-7(13)8(9,10)11/h2-5H,1H3,(H,12,13)
InChIKeySJUQCGJRFYQMPM-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide (CID 64592058) is 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide is CC(NC(=O)C(F)(F)F)c1ccsc1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide?
The InChIKey is SJUQCGJRFYQMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-5(6-2-3-14-4-6)12-7(13)8(9,10)11/h2-5H,1H3,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide?
2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide has a molecular weight of 223.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 64592058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).