trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane

C19H21F3OSi — CID 139192189

IUPACtrimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane
SMILESC[Si](C)(C)O[C@@](/C=C/c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3OSi/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/h4-15H,1-3H3/b15-14+/t18-/m0/s1
InChIKeyJCFZJLIZDLZKTP-JJJPLKNQSA-N
MW350.46 g/mol
LogP6.01
Rot. Bonds5

About trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane

trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane (PubChem CID 139192189) has the molecular formula C19H21F3OSi and a molecular weight of 350.46 g/mol. Its IUPAC name is trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane
PubChem CID139192189
Molecular FormulaC19H21F3OSi
Molecular Weight350.46 g/mol
Exact Mass350.13
IUPAC Nametrimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane
SMILESC[Si](C)(C)O[C@@](/C=C/c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3OSi/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/h4-15H,1-3H3/b15-14+/t18-/m0/s1
InChIKeyJCFZJLIZDLZKTP-JJJPLKNQSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dicumyl peroxide
CID 6641
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
Diphenyl(trifluoromethyl)carbinol
CID 238346
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
3,3,3',3'-Tetrakis(trifluoromethyl)-1,1'-spirobi[2,1-benzoxasilole]
CID 338472
2,2-Difluoro-1,1-diphenylethan-1-ol
CID 2303871
(3,4-Dihydro-1-naphthyloxy)trimethylsilane
CID 4245325
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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane (CID 139192189) is trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane is C[Si](C)(C)O[C@@](/C=C/c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane?
The InChIKey is JCFZJLIZDLZKTP-JJJPLKNQSA-N. The full InChI is InChI=1S/C19H21F3OSi/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/h4-15H,1-3H3/b15-14+/t18-/m0/s1.
What are the key properties of trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane?
trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane has a molecular weight of 350.46 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E,2S)-1,1,1-trifluoro-2,4-diphenylbut-3-en-2-yl]oxysilane is sourced from PubChem (CID 139192189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).