tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane

C13H18ClF3OSi — CID 58319237

IUPACtert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C13H18ClF3OSi/c1-12(2,3)19(4,5)18-10-8-6-7-9(11(10)14)13(15,16)17/h6-8H,1-5H3
InChIKeyQQGPDFNDLZQVLF-UHFFFAOYSA-N
MW310.82 g/mol
LogP5.74
Rot. Bonds2

About tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane

tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane (PubChem CID 58319237) has the molecular formula C13H18ClF3OSi and a molecular weight of 310.82 g/mol. Its IUPAC name is tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane
PubChem CID58319237
Molecular FormulaC13H18ClF3OSi
Molecular Weight310.82 g/mol
Exact Mass310.08
IUPAC Nametert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C13H18ClF3OSi/c1-12(2,3)19(4,5)18-10-8-6-7-9(11(10)14)13(15,16)17/h6-8H,1-5H3
InChIKeyQQGPDFNDLZQVLF-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.82
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane (CID 58319237) is tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane?
The InChIKey is QQGPDFNDLZQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3OSi/c1-12(2,3)19(4,5)18-10-8-6-7-9(11(10)14)13(15,16)17/h6-8H,1-5H3.
What are the key properties of tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane?
tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane has a molecular weight of 310.82 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-chloro-3-(trifluoromethyl)phenoxy]-dimethylsilane is sourced from PubChem (CID 58319237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).