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

C10H8F3NO2 — CID 156504687

IUPAC1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)14-7-2-1-3-8(15)6(7)4-5-9(14)16/h4-5H,1-3H2
InChIKeyXGJVSBLWAOJGDG-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.84
Rot. Bonds

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

1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 156504687) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID156504687
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2C(F)(F)F
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)14-7-2-1-3-8(15)6(7)4-5-9(14)16/h4-5H,1-3H2
InChIKeyXGJVSBLWAOJGDG-UHFFFAOYSA-N
XLogP1.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 156504687) is 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is XGJVSBLWAOJGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)14-7-2-1-3-8(15)6(7)4-5-9(14)16/h4-5H,1-3H2.
What are the key properties of 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 231.17 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 156504687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).