tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane

C18H23FOSi — CID 19092174

IUPACtert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H23FOSi/c1-18(2,3)21(4,5)20-17-12-8-15(9-13-17)14-6-10-16(19)11-7-14/h6-13H,1-5H3
InChIKeyLWKPGZCMCFOFAD-UHFFFAOYSA-N
MW302.47 g/mol
LogP5.88
Rot. Bonds3

About tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane

tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane (PubChem CID 19092174) has the molecular formula C18H23FOSi and a molecular weight of 302.47 g/mol. Its IUPAC name is tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane
PubChem CID19092174
Molecular FormulaC18H23FOSi
Molecular Weight302.47 g/mol
Exact Mass302.15
IUPAC Nametert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H23FOSi/c1-18(2,3)21(4,5)20-17-12-8-15(9-13-17)14-6-10-16(19)11-7-14/h6-13H,1-5H3
InChIKeyLWKPGZCMCFOFAD-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 55.88
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-[4-(4-fluorophenyl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane (CID 19092174) is tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane?
The InChIKey is LWKPGZCMCFOFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FOSi/c1-18(2,3)21(4,5)20-17-12-8-15(9-13-17)14-6-10-16(19)11-7-14/h6-13H,1-5H3.
What are the key properties of tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane?
tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane has a molecular weight of 302.47 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane is sourced from PubChem (CID 19092174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).