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

C6H7FO2 — CID 20805523

IUPAC2-ethyl-4-fluoro-2H-furan-5-one
SMILESCCC1C=C(F)C(=O)O1
InChIInChI=1S/C6H7FO2/c1-2-4-3-5(7)6(8)9-4/h3-4H,2H2,1H3
InChIKeyQELCJRVZKNBQAU-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.18
Rot. Bonds1

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

2-ethyl-4-fluoro-2H-furan-5-one (PubChem CID 20805523) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-2H-furan-5-one.

Molecular Properties

Compound Name2-ethyl-4-fluoro-2H-furan-5-one
PubChem CID20805523
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name2-ethyl-4-fluoro-2H-furan-5-one
SMILESCCC1C=C(F)C(=O)O1
InChIInChI=1S/C6H7FO2/c1-2-4-3-5(7)6(8)9-4/h3-4H,2H2,1H3
InChIKeyQELCJRVZKNBQAU-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-2H-furan-5-one?
The IUPAC name of 2-ethyl-4-fluoro-2H-furan-5-one (CID 20805523) is 2-ethyl-4-fluoro-2H-furan-5-one.
What is the SMILES notation for 2-ethyl-4-fluoro-2H-furan-5-one?
The canonical SMILES for 2-ethyl-4-fluoro-2H-furan-5-one is CCC1C=C(F)C(=O)O1.
What is the InChIKey of 2-ethyl-4-fluoro-2H-furan-5-one?
The InChIKey is QELCJRVZKNBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO2/c1-2-4-3-5(7)6(8)9-4/h3-4H,2H2,1H3.
What are the key properties of 2-ethyl-4-fluoro-2H-furan-5-one?
2-ethyl-4-fluoro-2H-furan-5-one has a molecular weight of 130.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-2H-furan-5-one is sourced from PubChem (CID 20805523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).