5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione

C15H9FO4 — CID 21358922

IUPAC5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione
SMILESO=C1C=C(c2ccc(Cc3ccc(F)cc3)o2)OC1=O
InChIInChI=1S/C15H9FO4/c16-10-3-1-9(2-4-10)7-11-5-6-13(19-11)14-8-12(17)15(18)20-14/h1-6,8H,7H2
InChIKeyGVTJVUGTZLNBTF-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.48
Rot. Bonds3

About 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione

5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione (PubChem CID 21358922) has the molecular formula C15H9FO4 and a molecular weight of 272.23 g/mol. Its IUPAC name is 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione.

Molecular Properties

Compound Name5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione
PubChem CID21358922
Molecular FormulaC15H9FO4
Molecular Weight272.23 g/mol
Exact Mass272.05
IUPAC Name5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione
SMILESO=C1C=C(c2ccc(Cc3ccc(F)cc3)o2)OC1=O
InChIInChI=1S/C15H9FO4/c16-10-3-1-9(2-4-10)7-11-5-6-13(19-11)14-8-12(17)15(18)20-14/h1-6,8H,7H2
InChIKeyGVTJVUGTZLNBTF-UHFFFAOYSA-N
XLogP2.48
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione?
The IUPAC name of 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione (CID 21358922) is 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione.
What is the SMILES notation for 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione?
The canonical SMILES for 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione is O=C1C=C(c2ccc(Cc3ccc(F)cc3)o2)OC1=O.
What is the InChIKey of 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione?
The InChIKey is GVTJVUGTZLNBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO4/c16-10-3-1-9(2-4-10)7-11-5-6-13(19-11)14-8-12(17)15(18)20-14/h1-6,8H,7H2.
What are the key properties of 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione?
5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione has a molecular weight of 272.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-fluorophenyl)methyl]furan-2-yl]furan-2,3-dione is sourced from PubChem (CID 21358922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).