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

C18ClF15Si — CID 11398916

IUPACchloro-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESFc1c(F)c(F)c([Si](Cl)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18ClF15Si/c19-35(16-10(29)4(23)1(20)5(24)11(16)30,17-12(31)6(25)2(21)7(26)13(17)32)18-14(33)8(27)3(22)9(28)15(18)34
InChIKeyMOJJQHJWGDJZBI-UHFFFAOYSA-N
MW564.71 g/mol
LogP4.98
Rot. Bonds3

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

chloro-tris(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 11398916) has the molecular formula C18ClF15Si and a molecular weight of 564.71 g/mol. Its IUPAC name is chloro-tris(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID11398916
Molecular FormulaC18ClF15Si
Molecular Weight564.71 g/mol
Exact Mass563.92
IUPAC Namechloro-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESFc1c(F)c(F)c([Si](Cl)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18ClF15Si/c19-35(16-10(29)4(23)1(20)5(24)11(16)30,17-12(31)6(25)2(21)7(26)13(17)32)18-14(33)8(27)3(22)9(28)15(18)34
InChIKeyMOJJQHJWGDJZBI-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.71
LogP ≤ 54.98
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 chloro-tris(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of chloro-tris(2,3,4,5,6-pentafluorophenyl)silane (CID 11398916) is chloro-tris(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for chloro-tris(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for chloro-tris(2,3,4,5,6-pentafluorophenyl)silane is Fc1c(F)c(F)c([Si](Cl)(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 chloro-tris(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is MOJJQHJWGDJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18ClF15Si/c19-35(16-10(29)4(23)1(20)5(24)11(16)30,17-12(31)6(25)2(21)7(26)13(17)32)18-14(33)8(27)3(22)9(28)15(18)34.
What are the key properties of chloro-tris(2,3,4,5,6-pentafluorophenyl)silane?
chloro-tris(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 564.71 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 11398916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).