[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane

C17H20FN3Si — CID 3827828

IUPAC[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
SMILESC[Si](C)(C)CC(c1ccc(F)cc1)n1nnc2ccccc21
InChIInChI=1S/C17H20FN3Si/c1-22(2,3)12-17(13-8-10-14(18)11-9-13)21-16-7-5-4-6-15(16)19-20-21/h4-11,17H,12H2,1-3H3
InChIKeyUWUDMHSUJDUWKZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.50
Rot. Bonds4

About [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane

[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane (PubChem CID 3827828) has the molecular formula C17H20FN3Si and a molecular weight of 313.45 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
PubChem CID3827828
Molecular FormulaC17H20FN3Si
Molecular Weight313.45 g/mol
Exact Mass313.14
IUPAC Name[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
SMILESC[Si](C)(C)CC(c1ccc(F)cc1)n1nnc2ccccc21
InChIInChI=1S/C17H20FN3Si/c1-22(2,3)12-17(13-8-10-14(18)11-9-13)21-16-7-5-4-6-15(16)19-20-21/h4-11,17H,12H2,1-3H3
InChIKeyUWUDMHSUJDUWKZ-UHFFFAOYSA-N
XLogP4.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.50
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

1-(1,2-diphenylethyl)benzotriazole
CID 3713183
1-[(4-fluorophenyl)-(2-phenyloxiran-2-yl)methyl]benzotriazole
CID 10936886
4-[1-(benzotriazol-1-yl)-2-phenylethyl]-N-methylaniline
CID 3714247
1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
CID 3540925
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
1-(4-fluorophenyl)sulfanylbenzotriazole
CID 26794753
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
CID 4562085
1-[(1S)-1-naphthalen-2-yl-2-nitroethyl]benzotriazole
CID 102178699

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane?
The IUPAC name of [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane (CID 3827828) is [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane.
What is the SMILES notation for [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane?
The canonical SMILES for [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane is C[Si](C)(C)CC(c1ccc(F)cc1)n1nnc2ccccc21.
What is the InChIKey of [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane?
The InChIKey is UWUDMHSUJDUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3Si/c1-22(2,3)12-17(13-8-10-14(18)11-9-13)21-16-7-5-4-6-15(16)19-20-21/h4-11,17H,12H2,1-3H3.
What are the key properties of [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane?
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane has a molecular weight of 313.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane is sourced from PubChem (CID 3827828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).