3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione

C7H4F4O4 — CID 90121094

IUPAC3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione
SMILESO=C1C=C(OCC(F)(F)C(F)F)C(=O)O1
InChIInChI=1S/C7H4F4O4/c8-6(9)7(10,11)2-14-3-1-4(12)15-5(3)13/h1,6H,2H2
InChIKeyMQUDWPYVIVEQDF-UHFFFAOYSA-N
MW228.10 g/mol
LogP0.87
Rot. Bonds4

About 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione

3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione (PubChem CID 90121094) has the molecular formula C7H4F4O4 and a molecular weight of 228.10 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione
PubChem CID90121094
Molecular FormulaC7H4F4O4
Molecular Weight228.10 g/mol
Exact Mass228.00
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione
SMILESO=C1C=C(OCC(F)(F)C(F)F)C(=O)O1
InChIInChI=1S/C7H4F4O4/c8-6(9)7(10,11)2-14-3-1-4(12)15-5(3)13/h1,6H,2H2
InChIKeyMQUDWPYVIVEQDF-UHFFFAOYSA-N
XLogP0.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione (CID 90121094) is 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione is O=C1C=C(OCC(F)(F)C(F)F)C(=O)O1.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione?
The InChIKey is MQUDWPYVIVEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O4/c8-6(9)7(10,11)2-14-3-1-4(12)15-5(3)13/h1,6H,2H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione?
3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione has a molecular weight of 228.10 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)furan-2,5-dione is sourced from PubChem (CID 90121094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).