2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde

C17H15F2N3OSi — CID 14154941

IUPAC2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde
SMILESC[Si](Cn1ncnc1C=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2N3OSi/c1-24(15-6-2-13(18)3-7-15,16-8-4-14(19)5-9-16)12-22-17(10-23)20-11-21-22/h2-11H,12H2,1H3
InChIKeyUALFVBCRNZSJTJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.80
Rot. Bonds5

About 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde

2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde (PubChem CID 14154941) has the molecular formula C17H15F2N3OSi and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde
PubChem CID14154941
Molecular FormulaC17H15F2N3OSi
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde
SMILESC[Si](Cn1ncnc1C=O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H15F2N3OSi/c1-24(15-6-2-13(18)3-7-15,16-8-4-14(19)5-9-16)12-22-17(10-23)20-11-21-22/h2-11H,12H2,1H3
InChIKeyUALFVBCRNZSJTJ-UHFFFAOYSA-N
XLogP1.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde (CID 14154941) is 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde is C[Si](Cn1ncnc1C=O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde?
The InChIKey is UALFVBCRNZSJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OSi/c1-24(15-6-2-13(18)3-7-15,16-8-4-14(19)5-9-16)12-22-17(10-23)20-11-21-22/h2-11H,12H2,1H3.
What are the key properties of 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde?
2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde has a molecular weight of 343.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(4-fluorophenyl)-methylsilyl]methyl]-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 14154941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).