tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane

C17H24F2OSi — CID 122389930

IUPACtert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(c2ccccc2)C(F)(F)C1
InChIInChI=1S/C17H24F2OSi/c1-16(2,3)21(4,5)20-14-11-15(17(18,19)12-14)13-9-7-6-8-10-13/h6-11,15H,12H2,1-5H3
InChIKeyVMEBQLFDUYNDSC-UHFFFAOYSA-N
MW310.46 g/mol
LogP5.71
Rot. Bonds3

About tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane

tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane (PubChem CID 122389930) has the molecular formula C17H24F2OSi and a molecular weight of 310.46 g/mol. Its IUPAC name is tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane
PubChem CID122389930
Molecular FormulaC17H24F2OSi
Molecular Weight310.46 g/mol
Exact Mass310.16
IUPAC Nametert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(c2ccccc2)C(F)(F)C1
InChIInChI=1S/C17H24F2OSi/c1-16(2,3)21(4,5)20-14-11-15(17(18,19)12-14)13-9-7-6-8-10-13/h6-11,15H,12H2,1-5H3
InChIKeyVMEBQLFDUYNDSC-UHFFFAOYSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.46
LogP ≤ 55.71
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

Tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
CID 11245353
Silane, trimethyl(2,2,2-trifluoro-1-methyl-1-phenylethoxy)-
CID 11637497
[3-[2-(4-Fluorophenyl)hex-1-enylidene]cyclohexen-1-yl]oxy-trimethylsilane
CID 12123465
Trimethyl-(1,1,1-trifluoro-4-phenylbutan-2-yl)oxysilane
CID 85935913
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
[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-Phenyl-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389926
1-Bromo-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389928
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-(4-bromophenyl)-1-cyclopentene
CID 122389931

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane (CID 122389930) is tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC(c2ccccc2)C(F)(F)C1.
What is the InChIKey of tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane?
The InChIKey is VMEBQLFDUYNDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2OSi/c1-16(2,3)21(4,5)20-14-11-15(17(18,19)12-14)13-9-7-6-8-10-13/h6-11,15H,12H2,1-5H3.
What are the key properties of tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane?
tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane has a molecular weight of 310.46 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-difluoro-3-phenylcyclopenten-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 122389930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).