2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide

C8H8F3NO2S — CID 81342831

IUPAC2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(Cc1ccsc1)NOCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)5-14-12-7(13)3-6-1-2-15-4-6/h1-2,4H,3,5H2,(H,12,13)
InChIKeyAAGOWWKWZVJLMV-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.90
Rot. Bonds4

About 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide

2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81342831) has the molecular formula C8H8F3NO2S and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81342831
Molecular FormulaC8H8F3NO2S
Molecular Weight239.22 g/mol
Exact Mass239.02
IUPAC Name2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(Cc1ccsc1)NOCC(F)(F)F
InChIInChI=1S/C8H8F3NO2S/c9-8(10,11)5-14-12-7(13)3-6-1-2-15-4-6/h1-2,4H,3,5H2,(H,12,13)
InChIKeyAAGOWWKWZVJLMV-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide (CID 81342831) is 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide is O=C(Cc1ccsc1)NOCC(F)(F)F.
What is the InChIKey of 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AAGOWWKWZVJLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S/c9-8(10,11)5-14-12-7(13)3-6-1-2-15-4-6/h1-2,4H,3,5H2,(H,12,13).
What are the key properties of 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide?
2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 239.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81342831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).