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

C11H12FNO2 — CID 81109165

IUPAC1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCF
InChIInChI=1S/C11H12FNO2/c12-6-7-13-9-2-1-3-10(14)8(9)4-5-11(13)15/h4-5H,1-3,6-7H2
InChIKeyGVKHGWAPZWFHMV-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.34
Rot. Bonds2

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

1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109165) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109165
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCF
InChIInChI=1S/C11H12FNO2/c12-6-7-13-9-2-1-3-10(14)8(9)4-5-11(13)15/h4-5H,1-3,6-7H2
InChIKeyGVKHGWAPZWFHMV-UHFFFAOYSA-N
XLogP1.34
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109165) is 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCF.
What is the InChIKey of 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is GVKHGWAPZWFHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-6-7-13-9-2-1-3-10(14)8(9)4-5-11(13)15/h4-5H,1-3,6-7H2.
What are the key properties of 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 209.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).