5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione

C72H30F12O18 — CID 158038917

IUPAC5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc(-c5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(C(F)(F)C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C30H14F4O6.C24H10F4O6.C18H6F4O6/c31-29(32,19-7-1-15(2-8-19)17-5-11-21-23(13-17)27(37)39-25(21)35)30(33,34)20-9-3-16(4-10-20)18-6-12-22-24(14-18)28(38)40-26(22)36;25-23(26,24(27,28)14-6-8-16-18(10-14)22(32)34-20(16)30)13-4-1-11(2-5-13)12-3-7-15-17(9-12)21(31)33-19(15)29;19-17(20,7-1-3-9-11(5-7)15(25)27-13(9)23)18(21,22)8-2-4-10-12(6-8)16(26)28-14(10)24/h1-14H;1-10H;1-6H
InChIKeyFICMASXESFPYCH-UHFFFAOYSA-N
MW1410.99 g/mol
LogP14.58
Rot. Bonds12

About 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione

5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione (PubChem CID 158038917) has the molecular formula C72H30F12O18 and a molecular weight of 1410.99 g/mol. Its IUPAC name is 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione
PubChem CID158038917
Molecular FormulaC72H30F12O18
Molecular Weight1410.99 g/mol
Exact Mass1410.12
IUPAC Name5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc(-c5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(C(F)(F)C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C30H14F4O6.C24H10F4O6.C18H6F4O6/c31-29(32,19-7-1-15(2-8-19)17-5-11-21-23(13-17)27(37)39-25(21)35)30(33,34)20-9-3-16(4-10-20)18-6-12-22-24(14-18)28(38)40-26(22)36;25-23(26,24(27,28)14-6-8-16-18(10-14)22(32)34-20(16)30)13-4-1-11(2-5-13)12-3-7-15-17(9-12)21(31)33-19(15)29;19-17(20,7-1-3-9-11(5-7)15(25)27-13(9)23)18(21,22)8-2-4-10-12(6-8)16(26)28-14(10)24/h1-14H;1-10H;1-6H
InChIKeyFICMASXESFPYCH-UHFFFAOYSA-N
XLogP14.58
TPSA260.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001410.99
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

Tetraphenylphthalic anhydride
CID 78478
4,4'-(Hexafluoropropylidene)diphthalic anhydride
CID 54325816
3,3-Bis[4-(4-fluorobenzoyl)phenyl]phthalide
CID 85757669
Tetrakis(2,6-bis(trifluoromethyl)benzoate);oxolane;tetrakis(ruthenium(2+));tetraacetate
CID 139168352
Diethyl 4-[4,5-bis(ethoxycarbonyl)-2-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]-5-[4-(3,4,5-trifluorophenyl)phenyl]benzene-1,2-dicarboxylate
CID 139195707
4,5,6,7-Tetraphenyl-2-benzofuran-1(3H)-one
CID 71337459
5,5'-[alpha-(Trifluoromethyl)benzylidene]bis(isobenzofuran-1,3-dione)
CID 14438321
5-[1-(1,3-Dioxo-2-benzofuran-5-yl)-1,2,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione
CID 22088873
4-[1-(1,3-Dioxo-2-benzofuran-4-yl)-1,2,2-trifluoro-2-phenylethyl]-2-benzofuran-1,3-dione
CID 53778351
5-[2-(1,3-Dioxobenzo[e][2]benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzo[e][2]benzofuran-1,3-dione
CID 53983896
5-[2-(1,3-Dioxoinden-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxoinden-5-yl)propan-2-yl]-2-benzofuran-1,3-dione
CID 54220156
5-[1-(1,3-Dioxo-2-benzofuran-5-yl)-1,2,2-trifluoro-2-phenylethyl]-2-benzofuran-1,3-dione
CID 54367988

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione (CID 158038917) is 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc(-c5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.O=C1OC(=O)c2cc(C(F)(F)C(F)(F)c3ccc4c(c3)C(=O)OC4=O)ccc21.
What is the InChIKey of 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione?
The InChIKey is FICMASXESFPYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14F4O6.C24H10F4O6.C18H6F4O6/c31-29(32,19-7-1-15(2-8-19)17-5-11-21-23(13-17)27(37)39-25(21)35)30(33,34)20-9-3-16(4-10-20)18-6-12-22-24(14-18)28(38)40-26(22)36;25-23(26,24(27,28)14-6-8-16-18(10-14)22(32)34-20(16)30)13-4-1-11(2-5-13)12-3-7-15-17(9-12)21(31)33-19(15)29;19-17(20,7-1-3-9-11(5-7)15(25)27-13(9)23)18(21,22)8-2-4-10-12(6-8)16(26)28-14(10)24/h1-14H;1-10H;1-6H.
What are the key properties of 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione?
5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione has a molecular weight of 1410.99 g/mol, XLogP of 14.58, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]-2-benzofuran-1,3-dione;5-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,2,2-tetrafluoroethyl]phenyl]-2-benzofuran-1,3-dione is sourced from PubChem (CID 158038917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).