1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione

C13H14F3NO2 — CID 113326496

IUPAC1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCC(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)7-2-8-17-10-3-1-4-11(18)9(10)5-6-12(17)19/h5-6H,1-4,7-8H2
InChIKeyJAPIZBXZCXLTOE-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.71
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 113326496) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID113326496
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCC(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)7-2-8-17-10-3-1-4-11(18)9(10)5-6-12(17)19/h5-6H,1-4,7-8H2
InChIKeyJAPIZBXZCXLTOE-UHFFFAOYSA-N
XLogP2.71
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 113326496) is 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is JAPIZBXZCXLTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)7-2-8-17-10-3-1-4-11(18)9(10)5-6-12(17)19/h5-6H,1-4,7-8H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 273.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 113326496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).