3-ethyl-3-fluorooxetane-2,4-dione

C5H5FO3 — CID 174939367

IUPAC3-ethyl-3-fluorooxetane-2,4-dione
SMILESCCC1(F)C(=O)OC1=O
InChIInChI=1S/C5H5FO3/c1-2-5(6)3(7)9-4(5)8/h2H2,1H3
InChIKeyGTHDIHDWXBVFAC-UHFFFAOYSA-N
MW132.09 g/mol
LogP0.19
Rot. Bonds1

About 3-ethyl-3-fluorooxetane-2,4-dione

3-ethyl-3-fluorooxetane-2,4-dione (PubChem CID 174939367) has the molecular formula C5H5FO3 and a molecular weight of 132.09 g/mol. Its IUPAC name is 3-ethyl-3-fluorooxetane-2,4-dione.

Molecular Properties

Compound Name3-ethyl-3-fluorooxetane-2,4-dione
PubChem CID174939367
Molecular FormulaC5H5FO3
Molecular Weight132.09 g/mol
Exact Mass132.02
IUPAC Name3-ethyl-3-fluorooxetane-2,4-dione
SMILESCCC1(F)C(=O)OC1=O
InChIInChI=1S/C5H5FO3/c1-2-5(6)3(7)9-4(5)8/h2H2,1H3
InChIKeyGTHDIHDWXBVFAC-UHFFFAOYSA-N
XLogP0.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-fluorooxetane-2,4-dione?
The IUPAC name of 3-ethyl-3-fluorooxetane-2,4-dione (CID 174939367) is 3-ethyl-3-fluorooxetane-2,4-dione.
What is the SMILES notation for 3-ethyl-3-fluorooxetane-2,4-dione?
The canonical SMILES for 3-ethyl-3-fluorooxetane-2,4-dione is CCC1(F)C(=O)OC1=O.
What is the InChIKey of 3-ethyl-3-fluorooxetane-2,4-dione?
The InChIKey is GTHDIHDWXBVFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO3/c1-2-5(6)3(7)9-4(5)8/h2H2,1H3.
What are the key properties of 3-ethyl-3-fluorooxetane-2,4-dione?
3-ethyl-3-fluorooxetane-2,4-dione has a molecular weight of 132.09 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-fluorooxetane-2,4-dione is sourced from PubChem (CID 174939367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).