2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide

C12H8F3NO4 — CID 2768191

IUPAC2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7H,3-4H2,(H,16,18)
InChIKeyHKZPPLCWYCSMAM-UHFFFAOYSA-N
MW287.19 g/mol
LogP1.72
Rot. Bonds1

About 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide

2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide (PubChem CID 2768191) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide
PubChem CID2768191
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide
SMILESO=C1CC(NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H8F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7H,3-4H2,(H,16,18)
InChIKeyHKZPPLCWYCSMAM-UHFFFAOYSA-N
XLogP1.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide (CID 2768191) is 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide is O=C1CC(NC(=O)C(F)(F)F)c2cc3c(cc21)OCO3.
What is the InChIKey of 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide?
The InChIKey is HKZPPLCWYCSMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO4/c13-12(14,15)11(18)16-7-3-8(17)6-2-10-9(1-5(6)7)19-4-20-10/h1-2,7H,3-4H2,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide?
2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide has a molecular weight of 287.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)acetamide is sourced from PubChem (CID 2768191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).