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

C10H19F3O3Si — CID 15724589

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-7(8(14)15)6-10(11,12)13/h7H,6H2,1-5H3,(H,14,15)/t7-/m0/s1
InChIKeyFVWBDUWPTKFBNA-ZETCQYMHSA-N
MW272.34 g/mol
LogP3.41
Rot. Bonds4

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid (PubChem CID 15724589) has the molecular formula C10H19F3O3Si and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
PubChem CID15724589
Molecular FormulaC10H19F3O3Si
Molecular Weight272.34 g/mol
Exact Mass272.11
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-7(8(14)15)6-10(11,12)13/h7H,6H2,1-5H3,(H,14,15)/t7-/m0/s1
InChIKeyFVWBDUWPTKFBNA-ZETCQYMHSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-O-tbdms-lactic acid
CID 14358756
(S)-2-(t-Butyl-dimethyl-silanyloxy)-propionic acid
CID 10035833
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 21838741
2-[Tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
CID 22287141
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 88298854
1,1,1,3,3,3-Hexafluoropropan-2-one;2-hydroxybutanoic acid;trimethyl(propoxy)silane
CID 91536609
2-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
CID 150285014
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 163274361
2-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 21665053
Methyl 4,4,4-trifluoro-2-tri(propan-2-yl)silyloxybutanoate
CID 102580452
2-Hydroxy-3-methylbutyric acid, TBDMS
CID 91752566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid (CID 15724589) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid is CC(C)(C)[Si](C)(C)O[C@@H](CC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
The InChIKey is FVWBDUWPTKFBNA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-7(8(14)15)6-10(11,12)13/h7H,6H2,1-5H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 15724589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).