1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione

C12H12F3NO2 — CID 81104970

IUPAC1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCC(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)6-7-16-9-2-1-3-10(17)8(9)4-5-11(16)18/h4-5H,1-3,6-7H2
InChIKeyJTQFLFYVOFOJLM-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.32
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104970) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104970
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCC(F)(F)F
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)6-7-16-9-2-1-3-10(17)8(9)4-5-11(16)18/h4-5H,1-3,6-7H2
InChIKeyJTQFLFYVOFOJLM-UHFFFAOYSA-N
XLogP2.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104970) is 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is JTQFLFYVOFOJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)6-7-16-9-2-1-3-10(17)8(9)4-5-11(16)18/h4-5H,1-3,6-7H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 259.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).