2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane

C17H13BF10Si — CID 18985399

IUPAC2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane
SMILESC[Si](C)(C)CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H13BF10Si/c1-29(2,3)5-4-18(6-8(19)12(23)16(27)13(24)9(6)20)7-10(21)14(25)17(28)15(26)11(7)22/h4-5H2,1-3H3
InChIKeyXUQWTZGNRDQRCS-UHFFFAOYSA-N
MW446.17 g/mol
LogP5.02
Rot. Bonds5

About 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane

2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane (PubChem CID 18985399) has the molecular formula C17H13BF10Si and a molecular weight of 446.17 g/mol. Its IUPAC name is 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane.

Molecular Properties

Compound Name2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane
PubChem CID18985399
Molecular FormulaC17H13BF10Si
Molecular Weight446.17 g/mol
Exact Mass446.07
IUPAC Name2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane
SMILESC[Si](C)(C)CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H13BF10Si/c1-29(2,3)5-4-18(6-8(19)12(23)16(27)13(24)9(6)20)7-10(21)14(25)17(28)15(26)11(7)22/h4-5H2,1-3H3
InChIKeyXUQWTZGNRDQRCS-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.17
LogP ≤ 55.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
The IUPAC name of 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane (CID 18985399) is 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane.
What is the SMILES notation for 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
The canonical SMILES for 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane is C[Si](C)(C)CCB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
The InChIKey is XUQWTZGNRDQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BF10Si/c1-29(2,3)5-4-18(6-8(19)12(23)16(27)13(24)9(6)20)7-10(21)14(25)17(28)15(26)11(7)22/h4-5H2,1-3H3.
What are the key properties of 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane has a molecular weight of 446.17 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane is sourced from PubChem (CID 18985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).