1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone

C12H8F3NO — CID 123356614

IUPAC1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone
SMILESCC(=O)C1=CC=C=C2C=C(C(F)(F)F)C=CN21
InChIInChI=1S/C12H8F3NO/c1-8(17)11-4-2-3-10-7-9(12(13,14)15)5-6-16(10)11/h2,4-7H,1H3
InChIKeyJYAMUOJQABYUGT-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.83
Rot. Bonds1

About 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone

1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone (PubChem CID 123356614) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone.

Molecular Properties

Compound Name1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone
PubChem CID123356614
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone
SMILESCC(=O)C1=CC=C=C2C=C(C(F)(F)F)C=CN21
InChIInChI=1S/C12H8F3NO/c1-8(17)11-4-2-3-10-7-9(12(13,14)15)5-6-16(10)11/h2,4-7H,1H3
InChIKeyJYAMUOJQABYUGT-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone?
The IUPAC name of 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone (CID 123356614) is 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone.
What is the SMILES notation for 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone?
The canonical SMILES for 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone is CC(=O)C1=CC=C=C2C=C(C(F)(F)F)C=CN21.
What is the InChIKey of 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone?
The InChIKey is JYAMUOJQABYUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c1-8(17)11-4-2-3-10-7-9(12(13,14)15)5-6-16(10)11/h2,4-7H,1H3.
What are the key properties of 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone?
1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone has a molecular weight of 239.20 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(trifluoromethyl)quinolizin-4-yl]ethanone is sourced from PubChem (CID 123356614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).