tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane

C23H28F2OSi — CID 122389926

IUPACtert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(c2ccccc2)C(c2ccccc2)CC1(F)F
InChIInChI=1S/C23H28F2OSi/c1-22(2,3)27(4,5)26-21-20(18-14-10-7-11-15-18)19(16-23(21,24)25)17-12-8-6-9-13-17/h6-15,19H,16H2,1-5H3
InChIKeyACJOJUXNWAQEIC-UHFFFAOYSA-N
MW386.56 g/mol
LogP7.24
Rot. Bonds4

About tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane

tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane (PubChem CID 122389926) has the molecular formula C23H28F2OSi and a molecular weight of 386.56 g/mol. Its IUPAC name is tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane
PubChem CID122389926
Molecular FormulaC23H28F2OSi
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Nametert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=C(c2ccccc2)C(c2ccccc2)CC1(F)F
InChIInChI=1S/C23H28F2OSi/c1-22(2,3)27(4,5)26-21-20(18-14-10-7-11-15-18)19(16-23(21,24)25)17-12-8-6-9-13-17/h6-15,19H,16H2,1-5H3
InChIKeyACJOJUXNWAQEIC-UHFFFAOYSA-N
XLogP7.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 57.24
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

Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
1-Phenyl-3-dimethyl(pentafluorophenyl)silyloxypropane
CID 576398
Tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
CID 11245353
[3-[2-(4-Fluorophenyl)hex-1-enylidene]cyclohexen-1-yl]oxy-trimethylsilane
CID 12123465
trimethyl-[(E)-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-1-enoxy]silane
CID 13693453
Trimethyl-(1,1,1-trifluoro-2-methyl-4-phenylbutan-2-yl)oxysilane
CID 86225628
1-(tert-Butyldimethylsiloxy)-3-phenyl-5,5-difluoro-1-cyclopentene
CID 101790511
[(Z,3R)-1-(4-fluorophenyl)-3-phenylpent-1-enoxy]-trimethylsilane
CID 102098356
[3-(4-Chlorophenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492771
(2-Methyl-3-phenyl-5,5-difluoro-1-cyclopentenyloxy)tert-butyldimethylsilane
CID 102492772
[3-(4-Methylphenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492773
1-Bromo-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389928

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane (CID 122389926) is tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=C(c2ccccc2)C(c2ccccc2)CC1(F)F.
What is the InChIKey of tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane?
The InChIKey is ACJOJUXNWAQEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2OSi/c1-22(2,3)27(4,5)26-21-20(18-14-10-7-11-15-18)19(16-23(21,24)25)17-12-8-6-9-13-17/h6-15,19H,16H2,1-5H3.
What are the key properties of tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane?
tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane has a molecular weight of 386.56 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,5-difluoro-2,3-diphenylcyclopenten-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 122389926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).