(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid

C11H21FO4Si — CID 174055803

IUPAC(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](F)CO[C@H]1C(=O)O
InChIInChI=1S/C11H21FO4Si/c1-11(2,3)17(4,5)16-8-7(12)6-15-9(8)10(13)14/h7-9H,6H2,1-5H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyIBNJSTBCSKGTOV-DJLDLDEBSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds3

About (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid

(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid (PubChem CID 174055803) has the molecular formula C11H21FO4Si and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
PubChem CID174055803
Molecular FormulaC11H21FO4Si
Molecular Weight264.37 g/mol
Exact Mass264.12
IUPAC Name(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](F)CO[C@H]1C(=O)O
InChIInChI=1S/C11H21FO4Si/c1-11(2,3)17(4,5)16-8-7(12)6-15-9(8)10(13)14/h7-9H,6H2,1-5H3,(H,13,14)/t7-,8+,9+/m0/s1
InChIKeyIBNJSTBCSKGTOV-DJLDLDEBSA-N
XLogP2.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
The IUPAC name of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid (CID 174055803) is (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
The canonical SMILES for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](F)CO[C@H]1C(=O)O.
What is the InChIKey of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
The InChIKey is IBNJSTBCSKGTOV-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H21FO4Si/c1-11(2,3)17(4,5)16-8-7(12)6-15-9(8)10(13)14/h7-9H,6H2,1-5H3,(H,13,14)/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid?
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carboxylic acid is sourced from PubChem (CID 174055803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).