tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane

C15H22ClFOSi — CID 86696739

IUPACtert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H22ClFOSi/c1-11(10-18-19(5,6)15(2,3)4)12-7-8-13(16)14(17)9-12/h7-9H,1,10H2,2-6H3
InChIKeyWQJJHSNFMLYLDJ-UHFFFAOYSA-N
MW300.88 g/mol
LogP5.51
Rot. Bonds4

About tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane

tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane (PubChem CID 86696739) has the molecular formula C15H22ClFOSi and a molecular weight of 300.88 g/mol. Its IUPAC name is tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane
PubChem CID86696739
Molecular FormulaC15H22ClFOSi
Molecular Weight300.88 g/mol
Exact Mass300.11
IUPAC Nametert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane
SMILESC=C(CO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H22ClFOSi/c1-11(10-18-19(5,6)15(2,3)4)12-7-8-13(16)14(17)9-12/h7-9H,1,10H2,2-6H3
InChIKeyWQJJHSNFMLYLDJ-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.88
LogP ≤ 55.51
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-(4-Chloro-2-fluorophenyl)ethanol
CID 67369720
alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Benzenemethanol, 4-chloro-alpha-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)-3-fluoro-, 1-methanesulfonate, (alphaR)-
CID 71726881
Triethyl(4-chlorobenzyloxy)silane
CID 580827
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Triethoxy(4-chlorophenethyl)silane
CID 13033311
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, bromomethyldimethylsilyl ether
CID 91735266
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
2-(4-Chlorophenyl)ethanol, dimethylpentafluorophenylsilyl ether
CID 91738936
tert-Butyl(2-fluorophenethoxy)dimethylsilane
CID 57988979
tert-Butyl(4-fluorophenethoxy)dimethylsilane
CID 57989254

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane (CID 86696739) is tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane is C=C(CO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane?
The InChIKey is WQJJHSNFMLYLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFOSi/c1-11(10-18-19(5,6)15(2,3)4)12-7-8-13(16)14(17)9-12/h7-9H,1,10H2,2-6H3.
What are the key properties of tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane?
tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane has a molecular weight of 300.88 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-chloro-3-fluorophenyl)prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 86696739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).