tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane

C17H23ClF2OSi — CID 102492771

IUPACtert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(c2ccc(Cl)cc2)CC1(F)F
InChIInChI=1S/C17H23ClF2OSi/c1-16(2,3)22(4,5)21-15-10-13(11-17(15,19)20)12-6-8-14(18)9-7-12/h6-10,13H,11H2,1-5H3
InChIKeyJSPVPHWIWKRFPA-UHFFFAOYSA-N
MW344.91 g/mol
LogP6.37
Rot. Bonds3

About tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane

tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane (PubChem CID 102492771) has the molecular formula C17H23ClF2OSi and a molecular weight of 344.91 g/mol. Its IUPAC name is tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane
PubChem CID102492771
Molecular FormulaC17H23ClF2OSi
Molecular Weight344.91 g/mol
Exact Mass344.12
IUPAC Nametert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1=CC(c2ccc(Cl)cc2)CC1(F)F
InChIInChI=1S/C17H23ClF2OSi/c1-16(2,3)22(4,5)21-15-10-13(11-17(15,19)20)12-6-8-14(18)9-7-12/h6-10,13H,11H2,1-5H3
InChIKeyJSPVPHWIWKRFPA-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.91
LogP ≤ 56.37
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

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
1-Phenyl-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389926
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-chloro-3-(trifluoromethyl)phenyl]cyclopentyl]oxy-dimethylsilane
CID 132967121
Tert-butyl-[4,4-difluoro-3-(4-methylphenyl)cyclopenten-1-yl]oxy-dimethylsilane
CID 134852790
tert-butyl-[(3R,4S)-5,5-difluoro-4-methyl-3-phenylcyclopenten-1-yl]oxy-dimethylsilane
CID 134854272
tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane
CID 162537730
4-(4-Chloro-3-fluorophenyl)-1-fluoro-1-(5-methoxypentyl)silinane
CID 53753317
(4-(2-Chloro-4-fluorophenyl)cyclohex-1-enyloxy)trimethylsilane
CID 66706273

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane (CID 102492771) is tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1=CC(c2ccc(Cl)cc2)CC1(F)F.
What is the InChIKey of tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane?
The InChIKey is JSPVPHWIWKRFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClF2OSi/c1-16(2,3)22(4,5)21-15-10-13(11-17(15,19)20)12-6-8-14(18)9-7-12/h6-10,13H,11H2,1-5H3.
What are the key properties of tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane?
tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane has a molecular weight of 344.91 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(4-chlorophenyl)-5,5-difluorocyclopenten-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 102492771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).