3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid

C11H19F3O5Si — CID 156762000

IUPAC3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3O5Si/c1-9(2,3)18-8(17)10(7(15)16,11(12,13)14)19-20(4,5)6/h1-6H3,(H,15,16)
InChIKeyVYTNRSSNMKNAQJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.57
Rot. Bonds4

About 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid

3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid (PubChem CID 156762000) has the molecular formula C11H19F3O5Si and a molecular weight of 316.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid
PubChem CID156762000
Molecular FormulaC11H19F3O5Si
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC Name3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid
SMILESCC(C)(C)OC(=O)C(O[Si](C)(C)C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3O5Si/c1-9(2,3)18-8(17)10(7(15)16,11(12,13)14)19-20(4,5)6/h1-6H3,(H,15,16)
InChIKeyVYTNRSSNMKNAQJ-UHFFFAOYSA-N
XLogP2.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid (CID 156762000) is 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid is CC(C)(C)OC(=O)C(O[Si](C)(C)C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid?
The InChIKey is VYTNRSSNMKNAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O5Si/c1-9(2,3)18-8(17)10(7(15)16,11(12,13)14)19-20(4,5)6/h1-6H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid?
3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid has a molecular weight of 316.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-trimethylsilyloxypropanoic acid is sourced from PubChem (CID 156762000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).