tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane

C18H27F3OSi — CID 132967123

IUPACtert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H27F3OSi/c1-17(2,3)23(4,5)22-16-8-6-7-15(16)13-9-11-14(12-10-13)18(19,20)21/h9-12,15-16H,6-8H2,1-5H3/t15-,16+/m0/s1
InChIKeyPISADHFFPKCMPY-JKSUJKDBSA-N
MW344.49 g/mol
LogP6.36
Rot. Bonds3

About tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane

tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane (PubChem CID 132967123) has the molecular formula C18H27F3OSi and a molecular weight of 344.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane
PubChem CID132967123
Molecular FormulaC18H27F3OSi
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC Nametert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H27F3OSi/c1-17(2,3)23(4,5)22-16-8-6-7-15(16)13-9-11-14(12-10-13)18(19,20)21/h9-12,15-16H,6-8H2,1-5H3/t15-,16+/m0/s1
InChIKeyPISADHFFPKCMPY-JKSUJKDBSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 56.36
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

(2,2-Difluoro-1-phenylbut-3-enoxy)-triethylsilane
CID 166519402
Triethyl-(2,3,3-trifluoro-1-phenylprop-2-enoxy)silane
CID 13628745
Tert-butyl-dimethyl-[6-[4-(trifluoromethyl)phenyl]hexoxy]silane
CID 11245353
triethyl-[(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-enoxy]silane
CID 11977273
Trimethyl-(1,1,1-trifluoro-4-phenylbutan-2-yl)oxysilane
CID 85935913
1-(tert-Butyldimethylsiloxy)-3-phenyl-5,5-difluoro-1-cyclopentene
CID 101790511
(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
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-phenyl-1-cyclopentene
CID 122389930
1-Methyl-2-(tert-butyldimethylsilyloxy)-4,4-difluoro-5-phenyl-1-cyclopentene
CID 122389932
tert-butyl-[(1R,2S)-2-(4-fluorophenyl)cyclohexyl]oxy-dimethylsilane
CID 132967113
1-[2alpha-(tert-Butyldimethylsilyloxy)cyclohexane-1beta-yl]-4-(trifluoromethyl)benzene
CID 132967114

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane (CID 132967123) is tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane?
The InChIKey is PISADHFFPKCMPY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27F3OSi/c1-17(2,3)23(4,5)22-16-8-6-7-15(16)13-9-11-14(12-10-13)18(19,20)21/h9-12,15-16H,6-8H2,1-5H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane?
tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane has a molecular weight of 344.49 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopentyl]oxysilane is sourced from PubChem (CID 132967123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).