tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane

C12H17F3OSi — CID 91697441

IUPACtert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(F)c(F)c1F
InChIInChI=1S/C12H17F3OSi/c1-12(2,3)17(4,5)16-9-7-6-8(13)10(14)11(9)15/h6-7H,1-5H3
InChIKeyNLAURVRQLIWZTO-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane

tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane (PubChem CID 91697441) has the molecular formula C12H17F3OSi and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
PubChem CID91697441
Molecular FormulaC12H17F3OSi
Molecular Weight262.35 g/mol
Exact Mass262.10
IUPAC Nametert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(F)c(F)c1F
InChIInChI=1S/C12H17F3OSi/c1-12(2,3)17(4,5)16-9-7-6-8(13)10(14)11(9)15/h6-7H,1-5H3
InChIKeyNLAURVRQLIWZTO-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane (CID 91697441) is tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane is CC(C)(C)[Si](C)(C)Oc1ccc(F)c(F)c1F.
What is the InChIKey of tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane?
The InChIKey is NLAURVRQLIWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3OSi/c1-12(2,3)17(4,5)16-9-7-6-8(13)10(14)11(9)15/h6-7H,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane?
tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane has a molecular weight of 262.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91697441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).