2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole

C25H23F3OSi — CID 25209104

IUPAC2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole
SMILESC[Si]1(C)OC(Cc2ccc(C(F)(F)F)cc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C25H23F3OSi/c1-30(2)23(20-9-5-3-6-10-20)18-24(29-30,21-11-7-4-8-12-21)17-19-13-15-22(16-14-19)25(26,27)28/h3-16,18H,17H2,1-2H3
InChIKeyMFTTTWUESWPEQF-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.00
Rot. Bonds4

About 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole

2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole (PubChem CID 25209104) has the molecular formula C25H23F3OSi and a molecular weight of 424.54 g/mol. Its IUPAC name is 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole.

Molecular Properties

Compound Name2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole
PubChem CID25209104
Molecular FormulaC25H23F3OSi
Molecular Weight424.54 g/mol
Exact Mass424.15
IUPAC Name2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole
SMILESC[Si]1(C)OC(Cc2ccc(C(F)(F)F)cc2)(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C25H23F3OSi/c1-30(2)23(20-9-5-3-6-10-20)18-24(29-30,21-11-7-4-8-12-21)17-19-13-15-22(16-14-19)25(26,27)28/h3-16,18H,17H2,1-2H3
InChIKeyMFTTTWUESWPEQF-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.00
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

[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl](diphenyl)methanol
CID 16218249
alpha-[4-(Trifluoromethyl)phenyl]benzhydryl alcohol
CID 569997
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
1,1,1,3,3,3-Hexafluoro-2-(4-tribenzylsilylphenyl)propan-2-ol
CID 168291313
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
1,1-Difluoro-2-(trimethylsiloxy)-2-phenylcyclopropane
CID 53307532
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
(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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole?
The IUPAC name of 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole (CID 25209104) is 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole.
What is the SMILES notation for 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole?
The canonical SMILES for 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole is C[Si]1(C)OC(Cc2ccc(C(F)(F)F)cc2)(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole?
The InChIKey is MFTTTWUESWPEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3OSi/c1-30(2)23(20-9-5-3-6-10-20)18-24(29-30,21-11-7-4-8-12-21)17-19-13-15-22(16-14-19)25(26,27)28/h3-16,18H,17H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole?
2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole has a molecular weight of 424.54 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,5-diphenyl-5-[[4-(trifluoromethyl)phenyl]methyl]oxasilole is sourced from PubChem (CID 25209104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).