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

C26H6F12O6 — CID 11479244

IUPAC4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)oc(=O)c3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12
InChIInChI=1S/C26H6F12O6/c27-23(28,29)9-1-7(2-10(5-9)24(30,31)32)13-15-17(21(41)43-19(15)39)14(18-16(13)20(40)44-22(18)42)8-3-11(25(33,34)35)6-12(4-8)26(36,37)38/h1-6H
InChIKeyQJMOANNNAVXYND-UHFFFAOYSA-N
MW642.30 g/mol
LogP6.90
Rot. Bonds2

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

4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 11479244) has the molecular formula C26H6F12O6 and a molecular weight of 642.30 g/mol. Its IUPAC name is 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID11479244
Molecular FormulaC26H6F12O6
Molecular Weight642.30 g/mol
Exact Mass642.00
IUPAC Name4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)oc(=O)c3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12
InChIInChI=1S/C26H6F12O6/c27-23(28,29)9-1-7(2-10(5-9)24(30,31)32)13-15-17(21(41)43-19(15)39)14(18-16(13)20(40)44-22(18)42)8-3-11(25(33,34)35)6-12(4-8)26(36,37)38/h1-6H
InChIKeyQJMOANNNAVXYND-UHFFFAOYSA-N
XLogP6.90
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.30
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 11479244) is 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is O=c1oc(=O)c2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3c(=O)oc(=O)c3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c12.
What is the InChIKey of 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is QJMOANNNAVXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H6F12O6/c27-23(28,29)9-1-7(2-10(5-9)24(30,31)32)13-15-17(21(41)43-19(15)39)14(18-16(13)20(40)44-22(18)42)8-3-11(25(33,34)35)6-12(4-8)26(36,37)38/h1-6H.
What are the key properties of 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 642.30 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis[3,5-bis(trifluoromethyl)phenyl]furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 11479244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).