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

C10H19F3O3Si — CID 163274361

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

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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid (PubChem CID 163274361) has the molecular formula C10H19F3O3Si and a molecular weight of 272.34 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
PubChem CID163274361
Molecular FormulaC10H19F3O3Si
Molecular Weight272.34 g/mol
Exact Mass272.11
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-7(6-8(14)15)10(11,12)13/h7H,6H2,1-5H3,(H,14,15)/t7-/m0/s1
InChIKeyBGJDPFGQRMYAEE-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'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid (CID 163274361) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid is CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)O)C(F)(F)F.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
The InChIKey is BGJDPFGQRMYAEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19F3O3Si/c1-9(2,3)17(4,5)16-7(6-8(14)15)10(11,12)13/h7H,6H2,1-5H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid?
(3S)-3-[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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 163274361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).