tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide

C25H29BF3O3Si- — CID 139766295

IUPACtris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide
SMILESCCO[Si](C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C25H29BF3O3Si/c1-4-30-33(31-5-2,32-6-3)19-26(20-7-13-23(27)14-8-20,21-9-15-24(28)16-10-21)22-11-17-25(29)18-12-22/h7-18H,4-6,19H2,1-3H3/q-1
InChIKeySODRANIDGDLXJF-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.16
Rot. Bonds11

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

tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide (PubChem CID 139766295) has the molecular formula C25H29BF3O3Si- and a molecular weight of 473.40 g/mol. Its IUPAC name is tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide.

Molecular Properties

Compound Nametris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide
PubChem CID139766295
Molecular FormulaC25H29BF3O3Si-
Molecular Weight473.40 g/mol
Exact Mass473.19
IUPAC Nametris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide
SMILESCCO[Si](C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(OCC)OCC
InChIInChI=1S/C25H29BF3O3Si/c1-4-30-33(31-5-2,32-6-3)19-26(20-7-13-23(27)14-8-20,21-9-15-24(28)16-10-21)22-11-17-25(29)18-12-22/h7-18H,4-6,19H2,1-3H3/q-1
InChIKeySODRANIDGDLXJF-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(4-fluorophenyl)-(trimethoxysilylmethyl)boranuide
CID 139766266
tris(4-fluorophenyl)-(4-triethoxysilylphenyl)boranuide
CID 139766252
(2,6-difluorophenyl)methyl-triethoxysilane
CID 146004962
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
triethoxy-[(2-fluorophenyl)methyl]silane
CID 146004998
dimethyl(phenyl)azanium;tris[(2,3,4,5,6-pentafluorophenyl)methyl]-(triethoxysilylmethyl)boranuide
CID 139766391
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
(3,5-difluorophenyl)methyl-ethoxy-dimethoxysilane
CID 90170563
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
(2,4-difluorophenyl)-diethoxy-hydroxysilane
CID 90171252
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825

Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide?
The IUPAC name of tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide (CID 139766295) is tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide.
What is the SMILES notation for tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide?
The canonical SMILES for tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide is CCO[Si](C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(OCC)OCC.
What is the InChIKey of tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide?
The InChIKey is SODRANIDGDLXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BF3O3Si/c1-4-30-33(31-5-2,32-6-3)19-26(20-7-13-23(27)14-8-20,21-9-15-24(28)16-10-21)22-11-17-25(29)18-12-22/h7-18H,4-6,19H2,1-3H3/q-1.
What are the key properties of tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide?
tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide has a molecular weight of 473.40 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-(triethoxysilylmethyl)boranuide is sourced from PubChem (CID 139766295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).