[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane

C23H17BF10Si — CID 134903522

IUPAC[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane
SMILESC[Si](C)(C)CC(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C23H17BF10Si/c1-35(2,3)9-11(10-7-5-4-6-8-10)24(12-14(25)18(29)22(33)19(30)15(12)26)13-16(27)20(31)23(34)21(32)17(13)28/h4-8,11H,9H2,1-3H3
InChIKeyZUEXVRVRAHAHTM-UHFFFAOYSA-N
MW522.27 g/mol
LogP6.35
Rot. Bonds6

About [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane

[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane (PubChem CID 134903522) has the molecular formula C23H17BF10Si and a molecular weight of 522.27 g/mol. Its IUPAC name is [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane.

Molecular Properties

Compound Name[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane
PubChem CID134903522
Molecular FormulaC23H17BF10Si
Molecular Weight522.27 g/mol
Exact Mass522.10
IUPAC Name[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane
SMILESC[Si](C)(C)CC(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C23H17BF10Si/c1-35(2,3)9-11(10-7-5-4-6-8-10)24(12-14(25)18(29)22(33)19(30)15(12)26)13-16(27)20(31)23(34)21(32)17(13)28/h4-8,11H,9H2,1-3H3
InChIKeyZUEXVRVRAHAHTM-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.27
LogP ≤ 56.35
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)boranyl-2-phenylethyl]-trimethylsilane?
The IUPAC name of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane (CID 134903522) is [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane.
What is the SMILES notation for [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane?
The canonical SMILES for [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane is C[Si](C)(C)CC(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane?
The InChIKey is ZUEXVRVRAHAHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BF10Si/c1-35(2,3)9-11(10-7-5-4-6-8-10)24(12-14(25)18(29)22(33)19(30)15(12)26)13-16(27)20(31)23(34)21(32)17(13)28/h4-8,11H,9H2,1-3H3.
What are the key properties of [2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane?
[2-bis(2,3,4,5,6-pentafluorophenyl)boranyl-2-phenylethyl]-trimethylsilane has a molecular weight of 522.27 g/mol, XLogP of 6.35, 6 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)boranyl-2-phenylethyl]-trimethylsilane is sourced from PubChem (CID 134903522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).