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

C10H12FN3Si — CID 154059023

IUPAC(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[SiH](Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C10H12FN3Si/c1-15(8-14-7-12-6-13-14)10-4-2-9(11)3-5-10/h2-7,15H,8H2,1H3
InChIKeyANJIVQGTNTVIEH-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.72
Rot. Bonds3

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

(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 154059023) has the molecular formula C10H12FN3Si and a molecular weight of 221.31 g/mol. Its IUPAC name is (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Name(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID154059023
Molecular FormulaC10H12FN3Si
Molecular Weight221.31 g/mol
Exact Mass221.08
IUPAC Name(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESC[SiH](Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C10H12FN3Si/c1-15(8-14-7-12-6-13-14)10-4-2-9(11)3-5-10/h2-7,15H,8H2,1H3
InChIKeyANJIVQGTNTVIEH-UHFFFAOYSA-N
XLogP0.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.72
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

bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
CID 123325239
1-[[amino-[bis(4-fluorophenyl)methyl]silyl]methyl]-1,2,4-triazole
CID 174818079
bis(4-fluorophenyl)-methyl-[2-(1,2,4-triazol-1-yl)ethyl]silane
CID 154489904
(4-fluorophenyl)-methyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
CID 70499020
(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
1-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1,2,4-triazole
CID 23274489
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 13474640
(2R,3R)-2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
CID 3007682
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 96533403
1-[2-(4-fluorophenyl)-4-(4-methylphenyl)butyl]-1,2,4-triazole;hydrochloride
CID 23315452

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane (CID 154059023) is (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane is C[SiH](Cn1cncn1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is ANJIVQGTNTVIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3Si/c1-15(8-14-7-12-6-13-14)10-4-2-9(11)3-5-10/h2-7,15H,8H2,1H3.
What are the key properties of (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 221.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 154059023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).