diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane

C16H10F10Si — CID 621279

IUPACdiethyl-bis(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC[Si](CC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H10F10Si/c1-3-27(4-2,15-11(23)7(19)5(17)8(20)12(15)24)16-13(25)9(21)6(18)10(22)14(16)26/h3-4H2,1-2H3
InChIKeyFXUBWZIDCYFDJI-UHFFFAOYSA-N
MW420.32 g/mol
LogP4.68
Rot. Bonds4

About diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane

diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 621279) has the molecular formula C16H10F10Si and a molecular weight of 420.32 g/mol. Its IUPAC name is diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namediethyl-bis(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID621279
Molecular FormulaC16H10F10Si
Molecular Weight420.32 g/mol
Exact Mass420.04
IUPAC Namediethyl-bis(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC[Si](CC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H10F10Si/c1-3-27(4-2,15-11(23)7(19)5(17)8(20)12(15)24)16-13(25)9(21)6(18)10(22)14(16)26/h3-4H2,1-2H3
InChIKeyFXUBWZIDCYFDJI-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane (CID 621279) is diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane is CC[Si](CC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is FXUBWZIDCYFDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F10Si/c1-3-27(4-2,15-11(23)7(19)5(17)8(20)12(15)24)16-13(25)9(21)6(18)10(22)14(16)26/h3-4H2,1-2H3.
What are the key properties of diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane?
diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 420.32 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 621279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).