tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane

C13H22F3NOSSi — CID 172804430

IUPACtert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane
SMILESCC(CO[Si](C)(C)C(C)(C)C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H22F3NOSSi/c1-9(7-18-20(5,6)12(2,3)4)11-17-10(8-19-11)13(14,15)16/h8-9H,7H2,1-6H3
InChIKeyRHTDJRDHCUUADL-UHFFFAOYSA-N
MW325.47 g/mol
LogP5.29
Rot. Bonds4

About tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane

tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane (PubChem CID 172804430) has the molecular formula C13H22F3NOSSi and a molecular weight of 325.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane
PubChem CID172804430
Molecular FormulaC13H22F3NOSSi
Molecular Weight325.47 g/mol
Exact Mass325.11
IUPAC Nametert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane
SMILESCC(CO[Si](C)(C)C(C)(C)C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H22F3NOSSi/c1-9(7-18-20(5,6)12(2,3)4)11-17-10(8-19-11)13(14,15)16/h8-9H,7H2,1-6H3
InChIKeyRHTDJRDHCUUADL-UHFFFAOYSA-N
XLogP5.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane (CID 172804430) is tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane is CC(CO[Si](C)(C)C(C)(C)C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane?
The InChIKey is RHTDJRDHCUUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NOSSi/c1-9(7-18-20(5,6)12(2,3)4)11-17-10(8-19-11)13(14,15)16/h8-9H,7H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane?
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane has a molecular weight of 325.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propoxy]silane is sourced from PubChem (CID 172804430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).