tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane

C15H24ClFOSi — CID 147593706

IUPACtert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H24ClFOSi/c1-11(10-18-19(5,6)15(2,3)4)12-7-8-13(16)14(17)9-12/h7-9,11H,10H2,1-6H3/t11-/m0/s1
InChIKeyFYTXSDIVKQHFQO-NSHDSACASA-N
MW302.89 g/mol
LogP5.60
Rot. Bonds4

About tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane

tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane (PubChem CID 147593706) has the molecular formula C15H24ClFOSi and a molecular weight of 302.89 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
PubChem CID147593706
Molecular FormulaC15H24ClFOSi
Molecular Weight302.89 g/mol
Exact Mass302.13
IUPAC Nametert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H24ClFOSi/c1-11(10-18-19(5,6)15(2,3)4)12-7-8-13(16)14(17)9-12/h7-9,11H,10H2,1-6H3/t11-/m0/s1
InChIKeyFYTXSDIVKQHFQO-NSHDSACASA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.89
LogP ≤ 55.60
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

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-(4-Chlorophenyl)ethanol, dimethylpentafluorophenylsilyl ether
CID 91738936
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
[(4-Chlorophenyl)-(3-fluorophenyl)methoxy]-dimethyl-phenylsilane
CID 178337030
Silane, [(4-chlorophenyl)methoxy]trimethyl-
CID 580476
[(4-Chlorophenyl)-trimethylsilylmethoxy]-trimethylsilane
CID 15209025
1-Chloro-4-dimethyl(pentafluorophenyl)silyloxymethylbenzene
CID 580484
2-Chloro-6-fluorobenzyl alcohol, TMS derivative
CID 91735265

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane (CID 147593706) is tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane is C[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane?
The InChIKey is FYTXSDIVKQHFQO-NSHDSACASA-N. The full InChI is InChI=1S/C15H24ClFOSi/c1-11(10-18-19(5,6)15(2,3)4)12-7-8-13(16)14(17)9-12/h7-9,11H,10H2,1-6H3/t11-/m0/s1.
What are the key properties of tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane?
tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane has a molecular weight of 302.89 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane is sourced from PubChem (CID 147593706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).