2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one

C7H9FO3 — CID 15828591

IUPAC2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one
SMILESCCC1OC(=O)C(OC)=C1F
InChIInChI=1S/C7H9FO3/c1-3-4-5(8)6(10-2)7(9)11-4/h4H,3H2,1-2H3
InChIKeyMYDJLJZXGUZGKX-UHFFFAOYSA-N
MW160.14 g/mol
LogP1.15
Rot. Bonds2

About 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one

2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one (PubChem CID 15828591) has the molecular formula C7H9FO3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one
PubChem CID15828591
Molecular FormulaC7H9FO3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one
SMILESCCC1OC(=O)C(OC)=C1F
InChIInChI=1S/C7H9FO3/c1-3-4-5(8)6(10-2)7(9)11-4/h4H,3H2,1-2H3
InChIKeyMYDJLJZXGUZGKX-UHFFFAOYSA-N
XLogP1.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-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 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one?
The IUPAC name of 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one (CID 15828591) is 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one?
The canonical SMILES for 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one is CCC1OC(=O)C(OC)=C1F.
What is the InChIKey of 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one?
The InChIKey is MYDJLJZXGUZGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO3/c1-3-4-5(8)6(10-2)7(9)11-4/h4H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one?
2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one has a molecular weight of 160.14 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-4-methoxy-2H-furan-5-one is sourced from PubChem (CID 15828591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).