2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane

C11H6F6O3 — CID 88602325

IUPAC2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane
SMILESFCC(F)(F)C(F)(F)F.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3.C3H2F6/c9-7-5-3-1-2-4-6(5)8(10)11-7;4-1-2(5,6)3(7,8)9/h1-4H;1H2
InChIKeyNCFGYPOGEXKQTM-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.15
Rot. Bonds1

About 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane

2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane (PubChem CID 88602325) has the molecular formula C11H6F6O3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane.

Molecular Properties

Compound Name2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane
PubChem CID88602325
Molecular FormulaC11H6F6O3
Molecular Weight300.15 g/mol
Exact Mass300.02
IUPAC Name2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane
SMILESFCC(F)(F)C(F)(F)F.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3.C3H2F6/c9-7-5-3-1-2-4-6(5)8(10)11-7;4-1-2(5,6)3(7,8)9/h1-4H;1H2
InChIKeyNCFGYPOGEXKQTM-UHFFFAOYSA-N
XLogP3.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane?
The IUPAC name of 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane (CID 88602325) is 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane.
What is the SMILES notation for 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane?
The canonical SMILES for 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane is FCC(F)(F)C(F)(F)F.O=C1OC(=O)c2ccccc21.
What is the InChIKey of 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane?
The InChIKey is NCFGYPOGEXKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O3.C3H2F6/c9-7-5-3-1-2-4-6(5)8(10)11-7;4-1-2(5,6)3(7,8)9/h1-4H;1H2.
What are the key properties of 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane?
2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane has a molecular weight of 300.15 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-dione;1,1,1,2,2,3-hexafluoropropane is sourced from PubChem (CID 88602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).