tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane

C16H22ClF3OSi — CID 150463115

IUPACtert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane
SMILESCC=C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H22ClF3OSi/c1-7-14(21-22(5,6)15(2,3)4)11-8-9-13(17)12(10-11)16(18,19)20/h7-10H,1-6H3
InChIKeyHQERZZRCBQDWQL-UHFFFAOYSA-N
MW350.88 g/mol
LogP6.74
Rot. Bonds3

About tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane

tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane (PubChem CID 150463115) has the molecular formula C16H22ClF3OSi and a molecular weight of 350.88 g/mol. Its IUPAC name is tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane
PubChem CID150463115
Molecular FormulaC16H22ClF3OSi
Molecular Weight350.88 g/mol
Exact Mass350.11
IUPAC Nametert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane
SMILESCC=C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H22ClF3OSi/c1-7-14(21-22(5,6)15(2,3)4)11-8-9-13(17)12(10-11)16(18,19)20/h7-10H,1-6H3
InChIKeyHQERZZRCBQDWQL-UHFFFAOYSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.88
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Triethyl(4-chlorobenzyloxy)silane
CID 580827
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153
[3-(4-Chlorophenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492771
tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclopentyl]oxy-dimethylsilane
CID 132967121
1-(4-Chlorophenyl)-4,4,4-trifluoro-3-phenyl-3-(trimethylsilyloxy)but-1-yne
CID 137346207
3-(4-Chlorophenyl)-4,4,4-trifluoro-1-phenyl-3-(trimethylsilyloxy)but-1-yne
CID 137346208
1-Trimethylsilyloxy-1-(4-chlorophenyl)ethylene
CID 10082437
1-(2-Chlorophenyl)ethenoxy-trimethylsilane
CID 10656887

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane (CID 150463115) is tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane is CC=C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane?
The InChIKey is HQERZZRCBQDWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3OSi/c1-7-14(21-22(5,6)15(2,3)4)11-8-9-13(17)12(10-11)16(18,19)20/h7-10H,1-6H3.
What are the key properties of tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane?
tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane has a molecular weight of 350.88 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane is sourced from PubChem (CID 150463115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).