3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

C11H18F6O3Si — CID 87444095

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6O3Si/c1-8(2,3)21(4,5)20-9(6-7(18)19,10(12,13)14)11(15,16)17/h6H2,1-5H3,(H,18,19)
InChIKeyOHWLMVHJQKMDAT-UHFFFAOYSA-N
MW340.34 g/mol
LogP4.35
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid (PubChem CID 87444095) has the molecular formula C11H18F6O3Si and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
PubChem CID87444095
Molecular FormulaC11H18F6O3Si
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CC(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6O3Si/c1-8(2,3)21(4,5)20-9(6-7(18)19,10(12,13)14)11(15,16)17/h6H2,1-5H3,(H,18,19)
InChIKeyOHWLMVHJQKMDAT-UHFFFAOYSA-N
XLogP4.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid (CID 87444095) is 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid is CC(C)(C)[Si](C)(C)OC(CC(=O)O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
The InChIKey is OHWLMVHJQKMDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O3Si/c1-8(2,3)21(4,5)20-9(6-7(18)19,10(12,13)14)11(15,16)17/h6H2,1-5H3,(H,18,19).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid has a molecular weight of 340.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid is sourced from PubChem (CID 87444095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).