chloro-tris(2,4,6-trifluorophenyl)silane

C18H6ClF9Si — CID 57020291

IUPACchloro-tris(2,4,6-trifluorophenyl)silane
SMILESFc1cc(F)c([Si](Cl)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1
InChIInChI=1S/C18H6ClF9Si/c19-29(16-10(23)1-7(20)2-11(16)24,17-12(25)3-8(21)4-13(17)26)18-14(27)5-9(22)6-15(18)28/h1-6H
InChIKeyJRJYZZCTPAXHMA-UHFFFAOYSA-N
MW456.77 g/mol
LogP4.14
Rot. Bonds3

About chloro-tris(2,4,6-trifluorophenyl)silane

chloro-tris(2,4,6-trifluorophenyl)silane (PubChem CID 57020291) has the molecular formula C18H6ClF9Si and a molecular weight of 456.77 g/mol. Its IUPAC name is chloro-tris(2,4,6-trifluorophenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,4,6-trifluorophenyl)silane
PubChem CID57020291
Molecular FormulaC18H6ClF9Si
Molecular Weight456.77 g/mol
Exact Mass455.98
IUPAC Namechloro-tris(2,4,6-trifluorophenyl)silane
SMILESFc1cc(F)c([Si](Cl)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1
InChIInChI=1S/C18H6ClF9Si/c19-29(16-10(23)1-7(20)2-11(16)24,17-12(25)3-8(21)4-13(17)26)18-14(27)5-9(22)6-15(18)28/h1-6H
InChIKeyJRJYZZCTPAXHMA-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 chloro-tris(2,4,6-trifluorophenyl)silane?
The IUPAC name of chloro-tris(2,4,6-trifluorophenyl)silane (CID 57020291) is chloro-tris(2,4,6-trifluorophenyl)silane.
What is the SMILES notation for chloro-tris(2,4,6-trifluorophenyl)silane?
The canonical SMILES for chloro-tris(2,4,6-trifluorophenyl)silane is Fc1cc(F)c([Si](Cl)(c2c(F)cc(F)cc2F)c2c(F)cc(F)cc2F)c(F)c1.
What is the InChIKey of chloro-tris(2,4,6-trifluorophenyl)silane?
The InChIKey is JRJYZZCTPAXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6ClF9Si/c19-29(16-10(23)1-7(20)2-11(16)24,17-12(25)3-8(21)4-13(17)26)18-14(27)5-9(22)6-15(18)28/h1-6H.
What are the key properties of chloro-tris(2,4,6-trifluorophenyl)silane?
chloro-tris(2,4,6-trifluorophenyl)silane has a molecular weight of 456.77 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,4,6-trifluorophenyl)silane is sourced from PubChem (CID 57020291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).