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

C17H13BF10Si — CID 100929286

IUPAC1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane
SMILESCC(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C
InChIInChI=1S/C17H13BF10Si/c1-5(29(2,3)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/h5H,1-4H3
InChIKeyPESMIIUICQTUKU-UHFFFAOYSA-N
MW446.17 g/mol
LogP4.95
Rot. Bonds4

About 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane

1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane (PubChem CID 100929286) has the molecular formula C17H13BF10Si and a molecular weight of 446.17 g/mol. Its IUPAC name is 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane.

Molecular Properties

Compound Name1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane
PubChem CID100929286
Molecular FormulaC17H13BF10Si
Molecular Weight446.17 g/mol
Exact Mass446.07
IUPAC Name1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane
SMILESCC(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C
InChIInChI=1S/C17H13BF10Si/c1-5(29(2,3)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/h5H,1-4H3
InChIKeyPESMIIUICQTUKU-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.17
LogP ≤ 54.95
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 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
The IUPAC name of 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane (CID 100929286) is 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane.
What is the SMILES notation for 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
The canonical SMILES for 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane is CC(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[Si](C)(C)C.
What is the InChIKey of 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
The InChIKey is PESMIIUICQTUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BF10Si/c1-5(29(2,3)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/h5H,1-4H3.
What are the key properties of 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane?
1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane has a molecular weight of 446.17 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2,3,4,5,6-pentafluorophenyl)boranylethyl-trimethylsilane is sourced from PubChem (CID 100929286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).