(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane

C16H16FN3Si — CID 70499020

IUPAC(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[Si@](Cn1cncn1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3Si/c1-21(13-20-12-18-11-19-20,15-5-3-2-4-6-15)16-9-7-14(17)8-10-16/h2-12H,13H2,1H3/t21-/m0/s1
InChIKeyNZWSUNDNCXQZAF-NRFANRHFSA-N
MW297.41 g/mol
LogP1.85
Rot. Bonds4

About (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane

(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 70499020) has the molecular formula C16H16FN3Si and a molecular weight of 297.41 g/mol. Its IUPAC name is (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Name(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID70499020
Molecular FormulaC16H16FN3Si
Molecular Weight297.41 g/mol
Exact Mass297.11
IUPAC Name(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[Si@](Cn1cncn1)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FN3Si/c1-21(13-20-12-18-11-19-20,15-5-3-2-4-6-15)16-9-7-14(17)8-10-16/h2-12H,13H2,1H3/t21-/m0/s1
InChIKeyNZWSUNDNCXQZAF-NRFANRHFSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane (CID 70499020) is (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane is C[Si@](Cn1cncn1)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is NZWSUNDNCXQZAF-NRFANRHFSA-N. The full InChI is InChI=1S/C16H16FN3Si/c1-21(13-20-12-18-11-19-20,15-5-3-2-4-6-15)16-9-7-14(17)8-10-16/h2-12H,13H2,1H3/t21-/m0/s1.
What are the key properties of (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 297.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 70499020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).