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

C11H10F3NO2 — CID 81104411

IUPAC1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CC(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)6-15-8-2-1-3-9(16)7(8)4-5-10(15)17/h4-5H,1-3,6H2
InChIKeyCBLITAOMPDQHKP-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.93
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104411) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104411
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CC(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)6-15-8-2-1-3-9(16)7(8)4-5-10(15)17/h4-5H,1-3,6H2
InChIKeyCBLITAOMPDQHKP-UHFFFAOYSA-N
XLogP1.93
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104411) is 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is CBLITAOMPDQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)6-15-8-2-1-3-9(16)7(8)4-5-10(15)17/h4-5H,1-3,6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 245.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).