4-butoxy-3-fluoro-5,5-dimethylfuran-2-one

C10H15FO3 — CID 15488156

IUPAC4-butoxy-3-fluoro-5,5-dimethylfuran-2-one
SMILESCCCCOC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C10H15FO3/c1-4-5-6-13-8-7(11)9(12)14-10(8,2)3/h4-6H2,1-3H3
InChIKeyADFLDCQKRNVVJC-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.32
Rot. Bonds4

About 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one

4-butoxy-3-fluoro-5,5-dimethylfuran-2-one (PubChem CID 15488156) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name4-butoxy-3-fluoro-5,5-dimethylfuran-2-one
PubChem CID15488156
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name4-butoxy-3-fluoro-5,5-dimethylfuran-2-one
SMILESCCCCOC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C10H15FO3/c1-4-5-6-13-8-7(11)9(12)14-10(8,2)3/h4-6H2,1-3H3
InChIKeyADFLDCQKRNVVJC-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one?
The IUPAC name of 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one (CID 15488156) is 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one.
What is the SMILES notation for 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one?
The canonical SMILES for 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one is CCCCOC1=C(F)C(=O)OC1(C)C.
What is the InChIKey of 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one?
The InChIKey is ADFLDCQKRNVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c1-4-5-6-13-8-7(11)9(12)14-10(8,2)3/h4-6H2,1-3H3.
What are the key properties of 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one?
4-butoxy-3-fluoro-5,5-dimethylfuran-2-one has a molecular weight of 202.22 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-fluoro-5,5-dimethylfuran-2-one is sourced from PubChem (CID 15488156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).