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

C14H20FN3Si — CID 13474640

IUPACbutyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCCCC[Si](C)(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3Si/c1-3-4-9-19(2,12-18-11-16-10-17-18)14-7-5-13(15)6-8-14/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyDKHXNBLFTOKGOA-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.74
Rot. Bonds6

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

butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 13474640) has the molecular formula C14H20FN3Si and a molecular weight of 277.42 g/mol. Its IUPAC name is butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Namebutyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID13474640
Molecular FormulaC14H20FN3Si
Molecular Weight277.42 g/mol
Exact Mass277.14
IUPAC Namebutyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCCCC[Si](C)(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C14H20FN3Si/c1-3-4-9-19(2,12-18-11-16-10-17-18)14-7-5-13(15)6-8-14/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyDKHXNBLFTOKGOA-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.74
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)-[[(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silyl]methyl]-prop-2-enylsilane
CID 157156753
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
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 154059023
bis[(4-fluorophenyl)methyl]-(1,2,4-triazol-1-ylmethyl)silane
CID 123325239
1-(4-fluorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CID 12763631
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane;[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl] (Z)-2-methyloctadec-9-enoate
CID 67702309
N-[(4-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)ethanamine
CID 115595738
hydroxy-methyl-(4-phenylphenyl)-(1,2,4-triazol-1-ylmethyl)silane
CID 13474665
(4-fluorophenyl)methyl-(1,2,4-triazol-1-ylmethyl)silane
CID 150513747

Frequently Asked Questions

What is the IUPAC name of butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane (CID 13474640) is butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane is CCCC[Si](C)(Cn1cncn1)c1ccc(F)cc1.
What is the InChIKey of butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is DKHXNBLFTOKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3Si/c1-3-4-9-19(2,12-18-11-16-10-17-18)14-7-5-13(15)6-8-14/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane?
butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 277.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 13474640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).