1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione

C12H14FNO2 — CID 81106487

IUPAC1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCF
InChIInChI=1S/C12H14FNO2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8H2
InChIKeyVKRLWHPQLHJKDE-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81106487) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81106487
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2CCCF
InChIInChI=1S/C12H14FNO2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8H2
InChIKeyVKRLWHPQLHJKDE-UHFFFAOYSA-N
XLogP1.73
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81106487) is 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is VKRLWHPQLHJKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-7-2-8-14-10-3-1-4-11(15)9(10)5-6-12(14)16/h5-6H,1-4,7-8H2.
What are the key properties of 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 223.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81106487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).