2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide

C13H10F4N2O2 — CID 169203297

IUPAC2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)C(F)(F)F)C(=O)c1ccn2cccc(F)c12
InChIInChI=1S/C13H10F4N2O2/c1-7(18-12(21)13(15,16)17)11(20)8-4-6-19-5-2-3-9(14)10(8)19/h2-7H,1H3,(H,18,21)
InChIKeyXLFRWMDFZDSRHJ-UHFFFAOYSA-N
MW302.23 g/mol
LogP2.33
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide

2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 169203297) has the molecular formula C13H10F4N2O2 and a molecular weight of 302.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID169203297
Molecular FormulaC13H10F4N2O2
Molecular Weight302.23 g/mol
Exact Mass302.07
IUPAC Name2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(NC(=O)C(F)(F)F)C(=O)c1ccn2cccc(F)c12
InChIInChI=1S/C13H10F4N2O2/c1-7(18-12(21)13(15,16)17)11(20)8-4-6-19-5-2-3-9(14)10(8)19/h2-7H,1H3,(H,18,21)
InChIKeyXLFRWMDFZDSRHJ-UHFFFAOYSA-N
XLogP2.33
TPSA50.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 52.33
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-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide (CID 169203297) is 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide is CC(NC(=O)C(F)(F)F)C(=O)c1ccn2cccc(F)c12.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is XLFRWMDFZDSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2/c1-7(18-12(21)13(15,16)17)11(20)8-4-6-19-5-2-3-9(14)10(8)19/h2-7H,1H3,(H,18,21).
What are the key properties of 2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 302.23 g/mol, XLogP of 2.33, 3 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-[1-(8-fluoroindolizin-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 169203297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).