8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

C9H7F3N2O2 — CID 102534381

IUPAC8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=C(c1ccc(=O)n2c1NCC2)C(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)7(16)5-1-2-6(15)14-4-3-13-8(5)14/h1-2,13H,3-4H2
InChIKeyYPEFAWWLGKVSOS-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.02
Rot. Bonds1

About 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one

8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 102534381) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID102534381
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=C(c1ccc(=O)n2c1NCC2)C(F)(F)F
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)7(16)5-1-2-6(15)14-4-3-13-8(5)14/h1-2,13H,3-4H2
InChIKeyYPEFAWWLGKVSOS-UHFFFAOYSA-N
XLogP1.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one (CID 102534381) is 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is O=C(c1ccc(=O)n2c1NCC2)C(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is YPEFAWWLGKVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)7(16)5-1-2-6(15)14-4-3-13-8(5)14/h1-2,13H,3-4H2.
What are the key properties of 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one?
8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 232.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroacetyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 102534381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).