2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid

C11H10FNO4 — CID 81298541

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid
SMILESO=C1CCCc2c1ccc(=O)n2C(F)C(=O)O
InChIInChI=1S/C11H10FNO4/c12-10(11(16)17)13-7-2-1-3-8(14)6(7)4-5-9(13)15/h4-5,10H,1-3H2,(H,16,17)
InChIKeyHQVDNEQSKGYGMH-UHFFFAOYSA-N
MW239.20 g/mol
LogP0.92
Rot. Bonds2

About 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid (PubChem CID 81298541) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid
PubChem CID81298541
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid
SMILESO=C1CCCc2c1ccc(=O)n2C(F)C(=O)O
InChIInChI=1S/C11H10FNO4/c12-10(11(16)17)13-7-2-1-3-8(14)6(7)4-5-9(13)15/h4-5,10H,1-3H2,(H,16,17)
InChIKeyHQVDNEQSKGYGMH-UHFFFAOYSA-N
XLogP0.92
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid (CID 81298541) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid is O=C1CCCc2c1ccc(=O)n2C(F)C(=O)O.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid?
The InChIKey is HQVDNEQSKGYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO4/c12-10(11(16)17)13-7-2-1-3-8(14)6(7)4-5-9(13)15/h4-5,10H,1-3H2,(H,16,17).
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid has a molecular weight of 239.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81298541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).