2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane

C13H18ClF3O2Si — CID 175454358

IUPAC2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C13H18ClF3O2Si/c1-20(2,3)8-7-18-9-10-11(14)5-4-6-12(10)19-13(15,16)17/h4-6H,7-9H2,1-3H3
InChIKeyJXBZJMXOCMHFGQ-UHFFFAOYSA-N
MW326.82 g/mol
LogP5.09
Rot. Bonds6

About 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane

2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane (PubChem CID 175454358) has the molecular formula C13H18ClF3O2Si and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane
PubChem CID175454358
Molecular FormulaC13H18ClF3O2Si
Molecular Weight326.82 g/mol
Exact Mass326.07
IUPAC Name2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCc1c(Cl)cccc1OC(F)(F)F
InChIInChI=1S/C13H18ClF3O2Si/c1-20(2,3)8-7-18-9-10-11(14)5-4-6-12(10)19-13(15,16)17/h4-6H,7-9H2,1-3H3
InChIKeyJXBZJMXOCMHFGQ-UHFFFAOYSA-N
XLogP5.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.82
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane (CID 175454358) is 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCc1c(Cl)cccc1OC(F)(F)F.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane?
The InChIKey is JXBZJMXOCMHFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3O2Si/c1-20(2,3)8-7-18-9-10-11(14)5-4-6-12(10)19-13(15,16)17/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane?
2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane has a molecular weight of 326.82 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175454358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).