1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

C19H13F2NO3 — CID 4920460

IUPAC1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H13F2NO3/c20-12-3-1-11(2-4-12)15-9-17(23)22(14-7-5-13(21)6-8-14)16-10-25-19(24)18(15)16/h1-8,15H,9-10H2
InChIKeyJAGZXRKCMAGCNW-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.30
Rot. Bonds2

About 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione

1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (PubChem CID 4920460) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
PubChem CID4920460
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
SMILESO=C1OCC2=C1C(c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1
InChIInChI=1S/C19H13F2NO3/c20-12-3-1-11(2-4-12)15-9-17(23)22(14-7-5-13(21)6-8-14)16-10-25-19(24)18(15)16/h1-8,15H,9-10H2
InChIKeyJAGZXRKCMAGCNW-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The IUPAC name of 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione (CID 4920460) is 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is O=C1OCC2=C1C(c1ccc(F)cc1)CC(=O)N2c1ccc(F)cc1.
What is the InChIKey of 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
The InChIKey is JAGZXRKCMAGCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c20-12-3-1-11(2-4-12)15-9-17(23)22(14-7-5-13(21)6-8-14)16-10-25-19(24)18(15)16/h1-8,15H,9-10H2.
What are the key properties of 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione?
1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione has a molecular weight of 341.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 4920460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).