3-(2,5-difluorophenyl)oxolane-2,4-dione

C10H6F2O3 — CID 54117331

IUPAC3-(2,5-difluorophenyl)oxolane-2,4-dione
SMILESO=C1COC(=O)C1c1cc(F)ccc1F
InChIInChI=1S/C10H6F2O3/c11-5-1-2-7(12)6(3-5)9-8(13)4-15-10(9)14/h1-3,9H,4H2
InChIKeyNLFTVXZCIJDDFS-UHFFFAOYSA-N
MW212.15 g/mol
LogP1.17
Rot. Bonds1

About 3-(2,5-difluorophenyl)oxolane-2,4-dione

3-(2,5-difluorophenyl)oxolane-2,4-dione (PubChem CID 54117331) has the molecular formula C10H6F2O3 and a molecular weight of 212.15 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)oxolane-2,4-dione.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)oxolane-2,4-dione
PubChem CID54117331
Molecular FormulaC10H6F2O3
Molecular Weight212.15 g/mol
Exact Mass212.03
IUPAC Name3-(2,5-difluorophenyl)oxolane-2,4-dione
SMILESO=C1COC(=O)C1c1cc(F)ccc1F
InChIInChI=1S/C10H6F2O3/c11-5-1-2-7(12)6(3-5)9-8(13)4-15-10(9)14/h1-3,9H,4H2
InChIKeyNLFTVXZCIJDDFS-UHFFFAOYSA-N
XLogP1.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)oxolane-2,4-dione?
The IUPAC name of 3-(2,5-difluorophenyl)oxolane-2,4-dione (CID 54117331) is 3-(2,5-difluorophenyl)oxolane-2,4-dione.
What is the SMILES notation for 3-(2,5-difluorophenyl)oxolane-2,4-dione?
The canonical SMILES for 3-(2,5-difluorophenyl)oxolane-2,4-dione is O=C1COC(=O)C1c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)oxolane-2,4-dione?
The InChIKey is NLFTVXZCIJDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O3/c11-5-1-2-7(12)6(3-5)9-8(13)4-15-10(9)14/h1-3,9H,4H2.
What are the key properties of 3-(2,5-difluorophenyl)oxolane-2,4-dione?
3-(2,5-difluorophenyl)oxolane-2,4-dione has a molecular weight of 212.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)oxolane-2,4-dione is sourced from PubChem (CID 54117331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).