tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane

C22H17F3N2Si — CID 13392465

IUPACtris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane
SMILESFc1ccc([Si](Cn2ccnc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17F3N2Si/c23-17-1-7-20(8-2-17)28(16-27-14-13-26-15-27,21-9-3-18(24)4-10-21)22-11-5-19(25)6-12-22/h1-15H,16H2
InChIKeyYPRRPWYSYWKAQL-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.01
Rot. Bonds5

About tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane

tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane (PubChem CID 13392465) has the molecular formula C22H17F3N2Si and a molecular weight of 394.47 g/mol. Its IUPAC name is tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane.

Molecular Properties

Compound Nametris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane
PubChem CID13392465
Molecular FormulaC22H17F3N2Si
Molecular Weight394.47 g/mol
Exact Mass394.11
IUPAC Nametris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane
SMILESFc1ccc([Si](Cn2ccnc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17F3N2Si/c23-17-1-7-20(8-2-17)28(16-27-14-13-26-15-27,21-9-3-18(24)4-10-21)22-11-5-19(25)6-12-22/h1-15H,16H2
InChIKeyYPRRPWYSYWKAQL-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane?
The IUPAC name of tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane (CID 13392465) is tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane.
What is the SMILES notation for tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane?
The canonical SMILES for tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane is Fc1ccc([Si](Cn2ccnc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane?
The InChIKey is YPRRPWYSYWKAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2Si/c23-17-1-7-20(8-2-17)28(16-27-14-13-26-15-27,21-9-3-18(24)4-10-21)22-11-5-19(25)6-12-22/h1-15H,16H2.
What are the key properties of tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane?
tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane has a molecular weight of 394.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-fluorophenyl)-(imidazol-1-ylmethyl)silane is sourced from PubChem (CID 13392465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).