2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide

C14H12F3NO3 — CID 14390153

IUPAC2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide
SMILESO=C1c2cc3c(cc2CCC1NC(=O)C(F)(F)F)CCO3
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)13(20)18-10-2-1-7-5-8-3-4-21-11(8)6-9(7)12(10)19/h5-6,10H,1-4H2,(H,18,20)
InChIKeyXPXNHUSSZTXAIY-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.80
Rot. Bonds1

About 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide

2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide (PubChem CID 14390153) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide
PubChem CID14390153
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide
SMILESO=C1c2cc3c(cc2CCC1NC(=O)C(F)(F)F)CCO3
InChIInChI=1S/C14H12F3NO3/c15-14(16,17)13(20)18-10-2-1-7-5-8-3-4-21-11(8)6-9(7)12(10)19/h5-6,10H,1-4H2,(H,18,20)
InChIKeyXPXNHUSSZTXAIY-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.80
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-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide (CID 14390153) is 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide is O=C1c2cc3c(cc2CCC1NC(=O)C(F)(F)F)CCO3.
What is the InChIKey of 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide?
The InChIKey is XPXNHUSSZTXAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c15-14(16,17)13(20)18-10-2-1-7-5-8-3-4-21-11(8)6-9(7)12(10)19/h5-6,10H,1-4H2,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide?
2,2,2-trifluoro-N-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide has a molecular weight of 299.25 g/mol, XLogP of 1.80, 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-(8-oxo-3,5,6,7-tetrahydro-2H-benzo[f][1]benzofuran-7-yl)acetamide is sourced from PubChem (CID 14390153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).