3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid

C10H19F3O3Si — CID 175557370

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(F)(CF)C(F)C(=O)O
InChIInChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-10(13,6-11)7(12)8(14)15/h7H,6H2,1-5H3,(H,14,15)
InChIKeyPRSKBNVGAZQKRF-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.07
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid (PubChem CID 175557370) has the molecular formula C10H19F3O3Si and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid
PubChem CID175557370
Molecular FormulaC10H19F3O3Si
Molecular Weight272.34 g/mol
Exact Mass272.11
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(F)(CF)C(F)C(=O)O
InChIInChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-10(13,6-11)7(12)8(14)15/h7H,6H2,1-5H3,(H,14,15)
InChIKeyPRSKBNVGAZQKRF-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.07
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-2,3,4-trifluorobutanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid (CID 175557370) is 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid is CC(C)(C)[Si](C)(C)OC(F)(CF)C(F)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid?
The InChIKey is PRSKBNVGAZQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-10(13,6-11)7(12)8(14)15/h7H,6H2,1-5H3,(H,14,15).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trifluorobutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 3.07, 5 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-2,3,4-trifluorobutanoic acid is sourced from PubChem (CID 175557370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).