tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane

C12H17ClF2OSi — CID 125115821

IUPACtert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C12H17ClF2OSi/c1-12(2,3)17(4,5)16-8-6-9(14)11(13)10(15)7-8/h6-7H,1-5H3
InChIKeyAKGPNJVUBMGXRX-UHFFFAOYSA-N
MW278.80 g/mol
LogP5.00
Rot. Bonds2

About tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane

tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane (PubChem CID 125115821) has the molecular formula C12H17ClF2OSi and a molecular weight of 278.80 g/mol. Its IUPAC name is tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
PubChem CID125115821
Molecular FormulaC12H17ClF2OSi
Molecular Weight278.80 g/mol
Exact Mass278.07
IUPAC Nametert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1cc(F)c(Cl)c(F)c1
InChIInChI=1S/C12H17ClF2OSi/c1-12(2,3)17(4,5)16-8-6-9(14)11(13)10(15)7-8/h6-7H,1-5H3
InChIKeyAKGPNJVUBMGXRX-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.80
LogP ≤ 55.00
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-(4-chloro-3,5-difluorophenoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane (CID 125115821) is tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1cc(F)c(Cl)c(F)c1.
What is the InChIKey of tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane?
The InChIKey is AKGPNJVUBMGXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF2OSi/c1-12(2,3)17(4,5)16-8-6-9(14)11(13)10(15)7-8/h6-7H,1-5H3.
What are the key properties of tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane?
tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane has a molecular weight of 278.80 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-chloro-3,5-difluorophenoxy)-dimethylsilane is sourced from PubChem (CID 125115821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).