2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide

C9H6F3NO2S — CID 162399024

IUPAC2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide
SMILESO=C1C[C@@H](NC(=O)C(F)(F)F)c2cscc21
InChIInChI=1S/C9H6F3NO2S/c10-9(11,12)8(15)13-6-1-7(14)5-3-16-2-4(5)6/h2-3,6H,1H2,(H,13,15)/t6-/m1/s1
InChIKeyLTEKVCMWHSBIGA-ZCFIWIBFSA-N
MW249.21 g/mol
LogP2.05
Rot. Bonds1

About 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide

2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide (PubChem CID 162399024) has the molecular formula C9H6F3NO2S and a molecular weight of 249.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide
PubChem CID162399024
Molecular FormulaC9H6F3NO2S
Molecular Weight249.21 g/mol
Exact Mass249.01
IUPAC Name2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide
SMILESO=C1C[C@@H](NC(=O)C(F)(F)F)c2cscc21
InChIInChI=1S/C9H6F3NO2S/c10-9(11,12)8(15)13-6-1-7(14)5-3-16-2-4(5)6/h2-3,6H,1H2,(H,13,15)/t6-/m1/s1
InChIKeyLTEKVCMWHSBIGA-ZCFIWIBFSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide (CID 162399024) is 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide is O=C1C[C@@H](NC(=O)C(F)(F)F)c2cscc21.
What is the InChIKey of 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide?
The InChIKey is LTEKVCMWHSBIGA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H6F3NO2S/c10-9(11,12)8(15)13-6-1-7(14)5-3-16-2-4(5)6/h2-3,6H,1H2,(H,13,15)/t6-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide?
2,2,2-trifluoro-N-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide has a molecular weight of 249.21 g/mol, XLogP of 2.05, 1 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-[(6R)-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl]acetamide is sourced from PubChem (CID 162399024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).