3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one

C14H14FIO3 — CID 11485684

IUPAC3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one
SMILESCCCCC1=C(I)C(O)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C14H14FIO3/c1-2-3-4-11-12(16)14(18,19-13(11)17)9-5-7-10(15)8-6-9/h5-8,18H,2-4H2,1H3
InChIKeyDUAXUZRHPUZWGO-UHFFFAOYSA-N
MW376.17 g/mol
LogP3.41
Rot. Bonds4

About 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one

3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one (PubChem CID 11485684) has the molecular formula C14H14FIO3 and a molecular weight of 376.17 g/mol. Its IUPAC name is 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one.

Molecular Properties

Compound Name3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one
PubChem CID11485684
Molecular FormulaC14H14FIO3
Molecular Weight376.17 g/mol
Exact Mass376.00
IUPAC Name3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one
SMILESCCCCC1=C(I)C(O)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C14H14FIO3/c1-2-3-4-11-12(16)14(18,19-13(11)17)9-5-7-10(15)8-6-9/h5-8,18H,2-4H2,1H3
InChIKeyDUAXUZRHPUZWGO-UHFFFAOYSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one?
The IUPAC name of 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one (CID 11485684) is 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one.
What is the SMILES notation for 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one?
The canonical SMILES for 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one is CCCCC1=C(I)C(O)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one?
The InChIKey is DUAXUZRHPUZWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIO3/c1-2-3-4-11-12(16)14(18,19-13(11)17)9-5-7-10(15)8-6-9/h5-8,18H,2-4H2,1H3.
What are the key properties of 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one?
3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one has a molecular weight of 376.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(4-fluorophenyl)-5-hydroxy-4-iodofuran-2-one is sourced from PubChem (CID 11485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).