trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane

C20H21F3OSi — CID 137346206

IUPACtrimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane
SMILESCc1ccc(C#CC(O[Si](C)(C)C)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C20H21F3OSi/c1-16-10-12-17(13-11-16)14-15-19(20(21,22)23,24-25(2,3)4)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyJIMRJFCXVUCHQH-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.66
Rot. Bonds3

About trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane

trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane (PubChem CID 137346206) has the molecular formula C20H21F3OSi and a molecular weight of 362.47 g/mol. Its IUPAC name is trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane
PubChem CID137346206
Molecular FormulaC20H21F3OSi
Molecular Weight362.47 g/mol
Exact Mass362.13
IUPAC Nametrimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane
SMILESCc1ccc(C#CC(O[Si](C)(C)C)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C20H21F3OSi/c1-16-10-12-17(13-11-16)14-15-19(20(21,22)23,24-25(2,3)4)18-8-6-5-7-9-18/h5-13H,1-4H3
InChIKeyJIMRJFCXVUCHQH-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.66
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-[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(phenyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168285849
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
1,1-Difluoro-2-(trimethylsiloxy)-2-phenylcyclopropane
CID 53307532
(1,1,1,4,4,4-Hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10526738
Trimethyl-[9-(trifluoromethyl)fluoren-9-yl]oxysilane
CID 11472732
2,3-Diphenyl-2,3-bis(triethylsiloxy)hexafluorobutane
CID 12534368
1,1-Diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 11523186
alpha-(Difluoromethylene)-4-methylbenzyloxytrimethylsilane
CID 12990227
1,1,1-Trifluoro-2,4-diphenyl-3-butyne-2-ol
CID 14246731

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane?
The IUPAC name of trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane (CID 137346206) is trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane?
The canonical SMILES for trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane is Cc1ccc(C#CC(O[Si](C)(C)C)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane?
The InChIKey is JIMRJFCXVUCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3OSi/c1-16-10-12-17(13-11-16)14-15-19(20(21,22)23,24-25(2,3)4)18-8-6-5-7-9-18/h5-13H,1-4H3.
What are the key properties of trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane?
trimethyl-[1,1,1-trifluoro-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane has a molecular weight of 362.47 g/mol, XLogP of 5.66, 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-4-(4-methylphenyl)-2-phenylbut-3-yn-2-yl]oxysilane is sourced from PubChem (CID 137346206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).