1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione

C13H14F3NO3 — CID 81109373

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCOCC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)8-20-7-6-17-10-2-1-3-11(18)9(10)4-5-12(17)19/h4-5H,1-3,6-8H2
InChIKeyXIUIRNJTVPBCKF-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109373) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109373
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCOCC(F)(F)F
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)8-20-7-6-17-10-2-1-3-11(18)9(10)4-5-12(17)19/h4-5H,1-3,6-8H2
InChIKeyXIUIRNJTVPBCKF-UHFFFAOYSA-N
XLogP1.95
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109373) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCOCC(F)(F)F.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is XIUIRNJTVPBCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)8-20-7-6-17-10-2-1-3-11(18)9(10)4-5-12(17)19/h4-5H,1-3,6-8H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 289.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).