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

C19H3F15Si — CID 635898

IUPACmethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[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/C19H3F15Si/c1-35(17-11(29)5(23)2(20)6(24)12(17)30,18-13(31)7(25)3(21)8(26)14(18)32)19-15(33)9(27)4(22)10(28)16(19)34/h1H3
InChIKeySTUBXBPFWCYKAL-UHFFFAOYSA-N
MW544.29 g/mol
LogP4.87
Rot. Bonds3

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

methyl-tris(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 635898) has the molecular formula C19H3F15Si and a molecular weight of 544.29 g/mol. Its IUPAC name is methyl-tris(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namemethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID635898
Molecular FormulaC19H3F15Si
Molecular Weight544.29 g/mol
Exact Mass543.98
IUPAC Namemethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESC[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/C19H3F15Si/c1-35(17-11(29)5(23)2(20)6(24)12(17)30,18-13(31)7(25)3(21)8(26)14(18)32)19-15(33)9(27)4(22)10(28)16(19)34/h1H3
InChIKeySTUBXBPFWCYKAL-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.29
LogP ≤ 54.87
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 methyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of methyl-tris(2,3,4,5,6-pentafluorophenyl)silane (CID 635898) is methyl-tris(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for methyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for methyl-tris(2,3,4,5,6-pentafluorophenyl)silane is 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 methyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is STUBXBPFWCYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H3F15Si/c1-35(17-11(29)5(23)2(20)6(24)12(17)30,18-13(31)7(25)3(21)8(26)14(18)32)19-15(33)9(27)4(22)10(28)16(19)34/h1H3.
What are the key properties of methyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
methyl-tris(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 544.29 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 635898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).