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

C7H9FO3 — CID 15488152

IUPAC3-fluoro-4-methoxy-5,5-dimethylfuran-2-one
SMILESCOC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C7H9FO3/c1-7(2)5(10-3)4(8)6(9)11-7/h1-3H3
InChIKeyLRWDEJNTPSFVMJ-UHFFFAOYSA-N
MW160.14 g/mol
LogP1.15
Rot. Bonds1

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

3-fluoro-4-methoxy-5,5-dimethylfuran-2-one (PubChem CID 15488152) has the molecular formula C7H9FO3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name3-fluoro-4-methoxy-5,5-dimethylfuran-2-one
PubChem CID15488152
Molecular FormulaC7H9FO3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name3-fluoro-4-methoxy-5,5-dimethylfuran-2-one
SMILESCOC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C7H9FO3/c1-7(2)5(10-3)4(8)6(9)11-7/h1-3H3
InChIKeyLRWDEJNTPSFVMJ-UHFFFAOYSA-N
XLogP1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one?
The IUPAC name of 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one (CID 15488152) is 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one.
What is the SMILES notation for 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one?
The canonical SMILES for 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one is COC1=C(F)C(=O)OC1(C)C.
What is the InChIKey of 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one?
The InChIKey is LRWDEJNTPSFVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO3/c1-7(2)5(10-3)4(8)6(9)11-7/h1-3H3.
What are the key properties of 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one?
3-fluoro-4-methoxy-5,5-dimethylfuran-2-one has a molecular weight of 160.14 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-5,5-dimethylfuran-2-one is sourced from PubChem (CID 15488152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).