2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid

C10H16F6O3Si — CID 22287141

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O3Si/c1-7(2,3)20(4,5)19-8(6(17)18,9(11,12)13)10(14,15)16/h1-5H3,(H,17,18)
InChIKeyDHZDZEOLRPXXOJ-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.96
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid

2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid (PubChem CID 22287141) has the molecular formula C10H16F6O3Si and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
PubChem CID22287141
Molecular FormulaC10H16F6O3Si
Molecular Weight326.31 g/mol
Exact Mass326.08
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(C(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O3Si/c1-7(2,3)20(4,5)19-8(6(17)18,9(11,12)13)10(14,15)16/h1-5H3,(H,17,18)
InChIKeyDHZDZEOLRPXXOJ-UHFFFAOYSA-N
XLogP3.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.96
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 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid (CID 22287141) is 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid is CC(C)(C)[Si](C)(C)OC(C(=O)O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid?
The InChIKey is DHZDZEOLRPXXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O3Si/c1-7(2,3)20(4,5)19-8(6(17)18,9(11,12)13)10(14,15)16/h1-5H3,(H,17,18).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid has a molecular weight of 326.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid is sourced from PubChem (CID 22287141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).