N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide

C13H12F3NO3 — CID 18519074

IUPACN-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc2c(c1)C(=O)C(NC(=O)C(F)(F)F)C2
InChIInChI=1S/C13H12F3NO3/c1-2-20-8-4-3-7-5-10(11(18)9(7)6-8)17-12(19)13(14,15)16/h3-4,6,10H,2,5H2,1H3,(H,17,19)
InChIKeyRMZWAOSHDBGBSY-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.87
Rot. Bonds3

About N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide

N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 18519074) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide
PubChem CID18519074
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC NameN-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc2c(c1)C(=O)C(NC(=O)C(F)(F)F)C2
InChIInChI=1S/C13H12F3NO3/c1-2-20-8-4-3-7-5-10(11(18)9(7)6-8)17-12(19)13(14,15)16/h3-4,6,10H,2,5H2,1H3,(H,17,19)
InChIKeyRMZWAOSHDBGBSY-UHFFFAOYSA-N
XLogP1.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide (CID 18519074) is N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide is CCOc1ccc2c(c1)C(=O)C(NC(=O)C(F)(F)F)C2.
What is the InChIKey of N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is RMZWAOSHDBGBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-2-20-8-4-3-7-5-10(11(18)9(7)6-8)17-12(19)13(14,15)16/h3-4,6,10H,2,5H2,1H3,(H,17,19).
What are the key properties of N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide?
N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 287.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-3-oxo-1,2-dihydroinden-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18519074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).