bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane

C17H17F2N3Si — CID 154489904

IUPACbis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
SMILESC[Si](CCn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2N3Si/c1-23(11-10-22-13-20-12-21-22,16-6-2-14(18)3-7-16)17-8-4-15(19)5-9-17/h2-9,12-13H,10-11H2,1H3
InChIKeyQIQUEUDMXPDOOJ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.45
Rot. Bonds5

About bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane

bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane (PubChem CID 154489904) has the molecular formula C17H17F2N3Si and a molecular weight of 329.43 g/mol. Its IUPAC name is bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
PubChem CID154489904
Molecular FormulaC17H17F2N3Si
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Namebis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
SMILESC[Si](CCn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H17F2N3Si/c1-23(11-10-22-13-20-12-21-22,16-6-2-14(18)3-7-16)17-8-4-15(19)5-9-17/h2-9,12-13H,10-11H2,1H3
InChIKeyQIQUEUDMXPDOOJ-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.45
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

(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
CID 70499020
butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474640
bis(4-fluorophenyl)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane
CID 157156753
N-[(4-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethanamine
CID 115595738
(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 154059023
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
CID 123325239
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
dimethoxy-phenyl-[3-(1,2,4-triazol-1-yl)propyl]silane
CID 59630466
(4-fluorophenyl)methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 150513747
1-(2-fluoroethyl)-1,2,4-triazole
CID 18406854

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane?
The IUPAC name of bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane (CID 154489904) is bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane.
What is the SMILES notation for bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane?
The canonical SMILES for bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane is C[Si](CCn1cncn1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane?
The InChIKey is QIQUEUDMXPDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3Si/c1-23(11-10-22-13-20-12-21-22,16-6-2-14(18)3-7-16)17-8-4-15(19)5-9-17/h2-9,12-13H,10-11H2,1H3.
What are the key properties of bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane?
bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane has a molecular weight of 329.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane is sourced from PubChem (CID 154489904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).