[1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane

C20H32F2OSi — CID 166519432

IUPAC[1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
SMILESC=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32F2OSi/c1-8-20(21,22)18(23-24(9-2,10-3)11-4)16-12-14-17(15-13-16)19(5,6)7/h8,12-15,18H,1,9-11H2,2-7H3
InChIKeyDJFFMVHSFGZMEZ-UHFFFAOYSA-N
MW354.56 g/mol
LogP6.87
Rot. Bonds8

About [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane

[1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane (PubChem CID 166519432) has the molecular formula C20H32F2OSi and a molecular weight of 354.56 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
PubChem CID166519432
Molecular FormulaC20H32F2OSi
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name[1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
SMILESC=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32F2OSi/c1-8-20(21,22)18(23-24(9-2,10-3)11-4)16-12-14-17(15-13-16)19(5,6)7/h8,12-15,18H,1,9-11H2,2-7H3
InChIKeyDJFFMVHSFGZMEZ-UHFFFAOYSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
The IUPAC name of [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane (CID 166519432) is [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane.
What is the SMILES notation for [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
The canonical SMILES for [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane is C=CC(F)(F)C(O[Si](CC)(CC)CC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
The InChIKey is DJFFMVHSFGZMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2OSi/c1-8-20(21,22)18(23-24(9-2,10-3)11-4)16-12-14-17(15-13-16)19(5,6)7/h8,12-15,18H,1,9-11H2,2-7H3.
What are the key properties of [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane?
[1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane has a molecular weight of 354.56 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-2,2-difluorobut-3-enoxy]-triethylsilane is sourced from PubChem (CID 166519432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).