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

C14H4F6O6 — CID 14794191

IUPAC4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(CC(F)(F)F)c3c(=O)oc(=O)c3c(CC(F)(F)F)c12
InChIInChI=1S/C14H4F6O6/c15-13(16,17)1-3-5-7(11(23)25-9(5)21)4(2-14(18,19)20)8-6(3)10(22)26-12(8)24/h1-2H2
InChIKeyKXVGHHWIQPWIDB-UHFFFAOYSA-N
MW382.17 g/mol
LogP1.71
Rot. Bonds2

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

4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 14794191) has the molecular formula C14H4F6O6 and a molecular weight of 382.17 g/mol. Its IUPAC name is 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID14794191
Molecular FormulaC14H4F6O6
Molecular Weight382.17 g/mol
Exact Mass381.99
IUPAC Name4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(CC(F)(F)F)c3c(=O)oc(=O)c3c(CC(F)(F)F)c12
InChIInChI=1S/C14H4F6O6/c15-13(16,17)1-3-5-7(11(23)25-9(5)21)4(2-14(18,19)20)8-6(3)10(22)26-12(8)24/h1-2H2
InChIKeyKXVGHHWIQPWIDB-UHFFFAOYSA-N
XLogP1.71
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 14794191) is 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is O=c1oc(=O)c2c(CC(F)(F)F)c3c(=O)oc(=O)c3c(CC(F)(F)F)c12.
What is the InChIKey of 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is KXVGHHWIQPWIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F6O6/c15-13(16,17)1-3-5-7(11(23)25-9(5)21)4(2-14(18,19)20)8-6(3)10(22)26-12(8)24/h1-2H2.
What are the key properties of 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 382.17 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(2,2,2-trifluoroethyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 14794191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).