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

C18H10F12O2Si — CID 23523557

IUPACdiethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
SMILESCCO[Si](OCC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F
InChIInChI=1S/C18H10F12O2Si/c1-3-31-33(32-4-2,17-14(27)10(23)9(22)11(24)15(17)28)16-12(25)6(19)5(7(20)13(16)26)8(21)18(29)30/h3-4H2,1-2H3
InChIKeyKOZJSVGGNTUKAK-UHFFFAOYSA-N
MW514.34 g/mol
LogP5.10
Rot. Bonds7

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

diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (PubChem CID 23523557) has the molecular formula C18H10F12O2Si and a molecular weight of 514.34 g/mol. Its IUPAC name is diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.

Molecular Properties

Compound Namediethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
PubChem CID23523557
Molecular FormulaC18H10F12O2Si
Molecular Weight514.34 g/mol
Exact Mass514.03
IUPAC Namediethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane
SMILESCCO[Si](OCC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F
InChIInChI=1S/C18H10F12O2Si/c1-3-31-33(32-4-2,17-14(27)10(23)9(22)11(24)15(17)28)16-12(25)6(19)5(7(20)13(16)26)8(21)18(29)30/h3-4H2,1-2H3
InChIKeyKOZJSVGGNTUKAK-UHFFFAOYSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The IUPAC name of diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane (CID 23523557) is diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane.
What is the SMILES notation for diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The canonical SMILES for diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane is CCO[Si](OCC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(C(F)=C(F)F)c(F)c1F.
What is the InChIKey of diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
The InChIKey is KOZJSVGGNTUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F12O2Si/c1-3-31-33(32-4-2,17-14(27)10(23)9(22)11(24)15(17)28)16-12(25)6(19)5(7(20)13(16)26)8(21)18(29)30/h3-4H2,1-2H3.
What are the key properties of diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane?
diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane has a molecular weight of 514.34 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-(1,2,2-trifluoroethenyl)phenyl]silane is sourced from PubChem (CID 23523557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).