diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

C37H20F28O4Si2 — CID 157305300

IUPACdiethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.CCO[Si](OCC)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C19H10F14O2Si.C18H10F14O2Si/c1-3-34-36(35-4-2,17-14(27)10(23)6(19(31,32)33)11(24)15(17)28)16-12(25)7(20)5(8(21)13(16)26)9(22)18(29)30;1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyBCJXDLRQMKEACD-UHFFFAOYSA-N
MW1116.68 g/mol
LogP11.45
Rot. Bonds13

About diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane

diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (PubChem CID 157305300) has the molecular formula C37H20F28O4Si2 and a molecular weight of 1116.68 g/mol. Its IUPAC name is diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.

Molecular Properties

Compound Namediethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
PubChem CID157305300
Molecular FormulaC37H20F28O4Si2
Molecular Weight1116.68 g/mol
Exact Mass1116.05
IUPAC Namediethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
SMILESCCO[Si](OCC)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.CCO[Si](OCC)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C19H10F14O2Si.C18H10F14O2Si/c1-3-34-36(35-4-2,17-14(27)10(23)6(19(31,32)33)11(24)15(17)28)16-12(25)7(20)5(8(21)13(16)26)9(22)18(29)30;1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyBCJXDLRQMKEACD-UHFFFAOYSA-N
XLogP11.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms71
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The IUPAC name of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane (CID 157305300) is diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane.
What is the SMILES notation for diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The canonical SMILES for diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is CCO[Si](OCC)(c1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.CCO[Si](OCC)(c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
The InChIKey is BCJXDLRQMKEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F14O2Si.C18H10F14O2Si/c1-3-34-36(35-4-2,17-14(27)10(23)6(19(31,32)33)11(24)15(17)28)16-12(25)7(20)5(8(21)13(16)26)9(22)18(29)30;1-3-33-35(34-4-2,15-11(23)7(19)5(17(27,28)29)8(20)12(15)24)16-13(25)9(21)6(18(30,31)32)10(22)14(16)26/h3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane?
diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane has a molecular weight of 1116.68 g/mol, XLogP of 11.45, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane;diethoxy-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane is sourced from PubChem (CID 157305300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).