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

C18F16Si — CID 11961689

IUPACfluoro-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESFc1c(F)c(F)c([Si](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F16Si/c19-1-4(22)10(28)16(11(29)5(1)23)35(34,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyDLCSDEOTUWFIHA-UHFFFAOYSA-N
MW548.25 g/mol
LogP4.71
Rot. Bonds3

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

fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 11961689) has the molecular formula C18F16Si and a molecular weight of 548.25 g/mol. Its IUPAC name is fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namefluoro-tris(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID11961689
Molecular FormulaC18F16Si
Molecular Weight548.25 g/mol
Exact Mass547.95
IUPAC Namefluoro-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESFc1c(F)c(F)c([Si](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F16Si/c19-1-4(22)10(28)16(11(29)5(1)23)35(34,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyDLCSDEOTUWFIHA-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.25
LogP ≤ 54.71
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': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane (CID 11961689) is fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane is Fc1c(F)c(F)c([Si](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is DLCSDEOTUWFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F16Si/c19-1-4(22)10(28)16(11(29)5(1)23)35(34,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33.
What are the key properties of fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane?
fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 548.25 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-tris(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 11961689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).