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

C17H17F2N3Si — CID 123325239

IUPACbis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
SMILESFc1ccc(C[SiH](Cc2ccc(F)cc2)Cn2cncn2)cc1
InChIInChI=1S/C17H17F2N3Si/c18-16-5-1-14(2-6-16)9-23(13-22-12-20-11-21-22)10-15-3-7-17(19)8-4-15/h1-8,11-12,23H,9-10,13H2
InChIKeyMFAASEIFCCNEAI-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.89
Rot. Bonds6

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

bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 123325239) has the molecular formula C17H17F2N3Si and a molecular weight of 329.43 g/mol. Its IUPAC name is bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Namebis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID123325239
Molecular FormulaC17H17F2N3Si
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Namebis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
SMILESFc1ccc(C[SiH](Cc2ccc(F)cc2)Cn2cncn2)cc1
InChIInChI=1S/C17H17F2N3Si/c18-16-5-1-14(2-6-16)9-23(13-22-12-20-11-21-22)10-15-3-7-17(19)8-4-15/h1-8,11-12,23H,9-10,13H2
InChIKeyMFAASEIFCCNEAI-UHFFFAOYSA-N
XLogP2.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.89
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-(1,2,4-triazol-1-ylmethyl)silane
CID 154059023
1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole
CID 174818079
(4-fluorophenyl)methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 150513747
N-[(4-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethanamine
CID 115595738
bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
CID 154489904
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776
(3S)-3-[(4-fluorophenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-2,5-dione
CID 97319052
1-(4-fluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 12763631
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
CID 23274489
(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
CID 70499020
1-[2-(4-fluorophenyl)-4-(4-methylphenyl)butyl]-1,2,4-triazole;hydrochloride
CID 23315452
4-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 67870604

Frequently Asked Questions

What is the IUPAC name of bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane (CID 123325239) is bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane is Fc1ccc(C[SiH](Cc2ccc(F)cc2)Cn2cncn2)cc1.
What is the InChIKey of bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is MFAASEIFCCNEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3Si/c18-16-5-1-14(2-6-16)9-23(13-22-12-20-11-21-22)10-15-3-7-17(19)8-4-15/h1-8,11-12,23H,9-10,13H2.
What are the key properties of bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane?
bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 329.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 123325239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).