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

C19H2ClF15Si — CID 86076529

IUPACchloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESFc1c(F)c(F)c([Si](CCl)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H2ClF15Si/c20-1-36(17-11(30)5(24)2(21)6(25)12(17)31,18-13(32)7(26)3(22)8(27)14(18)33)19-15(34)9(28)4(23)10(29)16(19)35/h1H2
InChIKeyQWURSAGXESYRJC-UHFFFAOYSA-N
MW578.73 g/mol
LogP5.02
Rot. Bonds4

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

chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 86076529) has the molecular formula C19H2ClF15Si and a molecular weight of 578.73 g/mol. Its IUPAC name is chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namechloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID86076529
Molecular FormulaC19H2ClF15Si
Molecular Weight578.73 g/mol
Exact Mass577.94
IUPAC Namechloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane
SMILESFc1c(F)c(F)c([Si](CCl)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C19H2ClF15Si/c20-1-36(17-11(30)5(24)2(21)6(25)12(17)31,18-13(32)7(26)3(22)8(27)14(18)33)19-15(34)9(28)4(23)10(29)16(19)35/h1H2
InChIKeyQWURSAGXESYRJC-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.73
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane (CID 86076529) is chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane is Fc1c(F)c(F)c([Si](CCl)(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 chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is QWURSAGXESYRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H2ClF15Si/c20-1-36(17-11(30)5(24)2(21)6(25)12(17)31,18-13(32)7(26)3(22)8(27)14(18)33)19-15(34)9(28)4(23)10(29)16(19)35/h1H2.
What are the key properties of chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane?
chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 578.73 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-tris(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 86076529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).