ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate

C22H28F2O3Si — CID 140759715

IUPACethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
SMILESCCOC(=O)C(F)(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28F2O3Si/c1-5-26-20(25)22(23,24)16-17-27-28(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,5,16-17H2,1-4H3
InChIKeyAZIZGZPGCZNKLA-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.15
Rot. Bonds8

About ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate

ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate (PubChem CID 140759715) has the molecular formula C22H28F2O3Si and a molecular weight of 406.55 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
PubChem CID140759715
Molecular FormulaC22H28F2O3Si
Molecular Weight406.55 g/mol
Exact Mass406.18
IUPAC Nameethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate
SMILESCCOC(=O)C(F)(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28F2O3Si/c1-5-26-20(25)22(23,24)16-17-27-28(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,5,16-17H2,1-4H3
InChIKeyAZIZGZPGCZNKLA-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylpentanoate
CID 162445089
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534
ethyl 2,2-difluoro-5-phenoxypentanoate
CID 163363293
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethylcarbamic acid
CID 174053128
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate?
The IUPAC name of ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate (CID 140759715) is ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate.
What is the SMILES notation for ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate?
The canonical SMILES for ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate is CCOC(=O)C(F)(F)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate?
The InChIKey is AZIZGZPGCZNKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2O3Si/c1-5-26-20(25)22(23,24)16-17-27-28(21(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,5,16-17H2,1-4H3.
What are the key properties of ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate?
ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate has a molecular weight of 406.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-difluorobutanoate is sourced from PubChem (CID 140759715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).