trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane

C19H19F3OSi — CID 137346204

IUPACtrimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane
SMILESC[Si](C)(C)OC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3OSi/c1-24(2,3)23-18(19(20,21)22,17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-13H,1-3H3
InChIKeyAUZYTWPLACBMRC-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.35
Rot. Bonds3

About trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane

trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane (PubChem CID 137346204) has the molecular formula C19H19F3OSi and a molecular weight of 348.44 g/mol. Its IUPAC name is trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane
PubChem CID137346204
Molecular FormulaC19H19F3OSi
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Nametrimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane
SMILESC[Si](C)(C)OC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H19F3OSi/c1-24(2,3)23-18(19(20,21)22,17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-13H,1-3H3
InChIKeyAUZYTWPLACBMRC-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[Diethyl(methyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168271253
1,1,1,3,3,3-Hexafluoro-2-(4-triethylsilylphenyl)propan-2-ol
CID 168272454
2-[4-[Cyclohexyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168278822
2-[4-[Benzyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168281096
2-[4-[Dimethyl(prop-2-enyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282113
2-[4-[Tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282164
2-[4-[Dimethyl(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
1,1,1,3,3,3-Hexafluoro-2-(4-tripropylsilylphenyl)propan-2-ol
CID 168293391
2-[4-[Butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168269668
1,1,1,3,3,3-Hexafluoro-2-[4-(hydroxy-methyl-phenylsilyl)phenyl]propan-2-ol
CID 168289966
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
2,2-Difluoro-1-phenyl-1-trimethylsiloxyethene
CID 10889667

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane?
The IUPAC name of trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane (CID 137346204) is trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane.
What is the SMILES notation for trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane?
The canonical SMILES for trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane is C[Si](C)(C)OC(C#Cc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane?
The InChIKey is AUZYTWPLACBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3OSi/c1-24(2,3)23-18(19(20,21)22,17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-13H,1-3H3.
What are the key properties of trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane?
trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane has a molecular weight of 348.44 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,1,1-trifluoro-2,4-diphenylbut-3-yn-2-yl)oxysilane is sourced from PubChem (CID 137346204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).