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

C16H23F3OSi — CID 67111174

IUPACtert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C(F)(F)F)c1C1CC1
InChIInChI=1S/C16H23F3OSi/c1-15(2,3)21(4,5)20-13-8-6-7-12(16(17,18)19)14(13)11-9-10-11/h6-8,11H,9-10H2,1-5H3
InChIKeyGOWQIEUFMKKMHZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.97
Rot. Bonds3

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

tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane (PubChem CID 67111174) has the molecular formula C16H23F3OSi and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane
PubChem CID67111174
Molecular FormulaC16H23F3OSi
Molecular Weight316.44 g/mol
Exact Mass316.15
IUPAC Nametert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(C(F)(F)F)c1C1CC1
InChIInChI=1S/C16H23F3OSi/c1-15(2,3)21(4,5)20-13-8-6-7-12(16(17,18)19)14(13)11-9-10-11/h6-8,11H,9-10H2,1-5H3
InChIKeyGOWQIEUFMKKMHZ-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.97
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-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane (CID 67111174) is tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cccc(C(F)(F)F)c1C1CC1.
What is the InChIKey of tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane?
The InChIKey is GOWQIEUFMKKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3OSi/c1-15(2,3)21(4,5)20-13-8-6-7-12(16(17,18)19)14(13)11-9-10-11/h6-8,11H,9-10H2,1-5H3.
What are the key properties of tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane?
tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane has a molecular weight of 316.44 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-cyclopropyl-3-(trifluoromethyl)phenoxy]-dimethylsilane is sourced from PubChem (CID 67111174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).