[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane

C12H15F2N3Si — CID 166520408

IUPAC[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)Cn1cc(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C12H15F2N3Si/c1-18(2,3)8-17-7-12(15-16-17)10-5-4-9(13)6-11(10)14/h4-7H,8H2,1-3H3
InChIKeySMKBXBZTTDQSLH-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.10
Rot. Bonds3

About [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane

[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane (PubChem CID 166520408) has the molecular formula C12H15F2N3Si and a molecular weight of 267.36 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane
PubChem CID166520408
Molecular FormulaC12H15F2N3Si
Molecular Weight267.36 g/mol
Exact Mass267.10
IUPAC Name[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane
SMILESC[Si](C)(C)Cn1cc(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C12H15F2N3Si/c1-18(2,3)8-17-7-12(15-16-17)10-5-4-9(13)6-11(10)14/h4-7H,8H2,1-3H3
InChIKeySMKBXBZTTDQSLH-UHFFFAOYSA-N
XLogP3.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.10
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-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane?
The IUPAC name of [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane (CID 166520408) is [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane.
What is the SMILES notation for [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane?
The canonical SMILES for [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane is C[Si](C)(C)Cn1cc(-c2ccc(F)cc2F)nn1.
What is the InChIKey of [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane?
The InChIKey is SMKBXBZTTDQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3Si/c1-18(2,3)8-17-7-12(15-16-17)10-5-4-9(13)6-11(10)14/h4-7H,8H2,1-3H3.
What are the key properties of [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane?
[4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane has a molecular weight of 267.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)triazol-1-yl]methyl-trimethylsilane is sourced from PubChem (CID 166520408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).