ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane

C20H3F15Si — CID 86076537

IUPACethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESC=C[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H3F15Si/c1-2-36(18-12(30)6(24)3(21)7(25)13(18)31,19-14(32)8(26)4(22)9(27)15(19)33)20-16(34)10(28)5(23)11(29)17(20)35/h2H,1H2
InChIKeyPMMBMCLGOGZVLL-UHFFFAOYSA-N
MW556.30 g/mol
LogP4.97
Rot. Bonds4

About ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane

ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 86076537) has the molecular formula C20H3F15Si and a molecular weight of 556.30 g/mol. Its IUPAC name is ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Nameethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID86076537
Molecular FormulaC20H3F15Si
Molecular Weight556.30 g/mol
Exact Mass555.98
IUPAC Nameethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESC=C[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H3F15Si/c1-2-36(18-12(30)6(24)3(21)7(25)13(18)31,19-14(32)8(26)4(22)9(27)15(19)33)20-16(34)10(28)5(23)11(29)17(20)35/h2H,1H2
InChIKeyPMMBMCLGOGZVLL-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.30
LogP ≤ 54.97
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane (CID 86076537) is ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane is C=C[Si](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is PMMBMCLGOGZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H3F15Si/c1-2-36(18-12(30)6(24)3(21)7(25)13(18)31,19-14(32)8(26)4(22)9(27)15(19)33)20-16(34)10(28)5(23)11(29)17(20)35/h2H,1H2.
What are the key properties of ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 556.30 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-tris(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 86076537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).