tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide

C22H23BF3O3Si- — CID 139766266

IUPACtris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide
SMILESCO[Si](C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(OC)OC
InChIInChI=1S/C22H23BF3O3Si/c1-27-30(28-2,29-3)16-23(17-4-10-20(24)11-5-17,18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h4-15H,16H2,1-3H3/q-1
InChIKeyRTFHXUGKSGSCLS-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.99
Rot. Bonds8

About tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide

tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide (PubChem CID 139766266) has the molecular formula C22H23BF3O3Si- and a molecular weight of 431.32 g/mol. Its IUPAC name is tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide.

Molecular Properties

Compound Nametris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide
PubChem CID139766266
Molecular FormulaC22H23BF3O3Si-
Molecular Weight431.32 g/mol
Exact Mass431.15
IUPAC Nametris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide
SMILESCO[Si](C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(OC)OC
InChIInChI=1S/C22H23BF3O3Si/c1-27-30(28-2,29-3)16-23(17-4-10-20(24)11-5-17,18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h4-15H,16H2,1-3H3/q-1
InChIKeyRTFHXUGKSGSCLS-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide?
The IUPAC name of tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide (CID 139766266) is tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide.
What is the SMILES notation for tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide?
The canonical SMILES for tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide is CO[Si](C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(OC)OC.
What is the InChIKey of tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide?
The InChIKey is RTFHXUGKSGSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BF3O3Si/c1-27-30(28-2,29-3)16-23(17-4-10-20(24)11-5-17,18-6-12-21(25)13-7-18)19-8-14-22(26)15-9-19/h4-15H,16H2,1-3H3/q-1.
What are the key properties of tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide?
tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide has a molecular weight of 431.32 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide is sourced from PubChem (CID 139766266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).