ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate

C11H21F3O3Si — CID 171487044

IUPACethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate
SMILESCCOC(=O)C(O[Si](C)(C)C)C(CF)(CF)CF
InChIInChI=1S/C11H21F3O3Si/c1-5-16-10(15)9(17-18(2,3)4)11(6-12,7-13)8-14/h9H,5-8H2,1-4H3
InChIKeyIOPSABAVVQMUFI-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.66
Rot. Bonds8

About ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate

ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate (PubChem CID 171487044) has the molecular formula C11H21F3O3Si and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate.

Molecular Properties

Compound Nameethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate
PubChem CID171487044
Molecular FormulaC11H21F3O3Si
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Nameethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate
SMILESCCOC(=O)C(O[Si](C)(C)C)C(CF)(CF)CF
InChIInChI=1S/C11H21F3O3Si/c1-5-16-10(15)9(17-18(2,3)4)11(6-12,7-13)8-14/h9H,5-8H2,1-4H3
InChIKeyIOPSABAVVQMUFI-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.66
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 3,3,3-trifluoro-2-methoxypropanoate
CID 22913356
ethyl (2S)-2,3-difluoropropanoate
CID 129363096
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-3-(2-hydroxyphenyl)propanoate
CID 153447732
diethyl 2,3-difluorobutanedioate
CID 12868425
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
diethyl 2-(1,1-difluoro-2-methylpropan-2-yl)propanedioate
CID 129050677
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
diethyl 2-(fluoromethoxy)propanedioate
CID 71623533
ethyl 2-(hydroxyamino)-3-oxobutanoate
CID 57252315
ethyl (3R)-5-hydroxy-2,2-dimethyl-3-trimethylsilyloxypentanoate
CID 101484310
ethyl (2S,3R)-2-bromo-2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 101120407
diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate
CID 559227

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate?
The IUPAC name of ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate (CID 171487044) is ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate.
What is the SMILES notation for ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate?
The canonical SMILES for ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate is CCOC(=O)C(O[Si](C)(C)C)C(CF)(CF)CF.
What is the InChIKey of ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate?
The InChIKey is IOPSABAVVQMUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3Si/c1-5-16-10(15)9(17-18(2,3)4)11(6-12,7-13)8-14/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate?
ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate has a molecular weight of 286.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-3,3-bis(fluoromethyl)-2-trimethylsilyloxybutanoate is sourced from PubChem (CID 171487044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).