8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C12HF5O6 — CID 56638358

IUPAC8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3cc12
InChIInChI=1S/C12HF5O6/c13-11(14,12(15,16)17)6-4-2(7(18)22-9(4)20)1-3-5(6)10(21)23-8(3)19/h1H
InChIKeyFYWVITLJMAQGQI-UHFFFAOYSA-N
MW336.12 g/mol
LogP1.15
Rot. Bonds1

About 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 56638358) has the molecular formula C12HF5O6 and a molecular weight of 336.12 g/mol. Its IUPAC name is 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID56638358
Molecular FormulaC12HF5O6
Molecular Weight336.12 g/mol
Exact Mass335.97
IUPAC Name8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3cc12
InChIInChI=1S/C12HF5O6/c13-11(14,12(15,16)17)6-4-2(7(18)22-9(4)20)1-3-5(6)10(21)23-8(3)19/h1H
InChIKeyFYWVITLJMAQGQI-UHFFFAOYSA-N
XLogP1.15
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 56638358) is 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is O=c1oc(=O)c2c(C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3cc12.
What is the InChIKey of 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is FYWVITLJMAQGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF5O6/c13-11(14,12(15,16)17)6-4-2(7(18)22-9(4)20)1-3-5(6)10(21)23-8(3)19/h1H.
What are the key properties of 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 336.12 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1,2,2,2-pentafluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 56638358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).