[(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate

C12H21FO3 — CID 164775713

IUPAC[(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](F)[C@H](C(C)C)O[C@@H]1C(C)C
InChIInChI=1S/C12H21FO3/c1-6(2)10-9(13)12(15-8(5)14)11(16-10)7(3)4/h6-7,9-12H,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyIKPRMXPPYHGHMW-WRWGMCAJSA-N
MW232.29 g/mol
LogP2.34
Rot. Bonds3

About [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate

[(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate (PubChem CID 164775713) has the molecular formula C12H21FO3 and a molecular weight of 232.29 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate
PubChem CID164775713
Molecular FormulaC12H21FO3
Molecular Weight232.29 g/mol
Exact Mass232.15
IUPAC Name[(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](F)[C@H](C(C)C)O[C@@H]1C(C)C
InChIInChI=1S/C12H21FO3/c1-6(2)10-9(13)12(15-8(5)14)11(16-10)7(3)4/h6-7,9-12H,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyIKPRMXPPYHGHMW-WRWGMCAJSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate (CID 164775713) is [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate is CC(=O)O[C@@H]1[C@H](F)[C@H](C(C)C)O[C@@H]1C(C)C.
What is the InChIKey of [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
The InChIKey is IKPRMXPPYHGHMW-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H21FO3/c1-6(2)10-9(13)12(15-8(5)14)11(16-10)7(3)4/h6-7,9-12H,1-5H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate?
[(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate has a molecular weight of 232.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-4-fluoro-2,5-di(propan-2-yl)oxolan-3-yl] acetate is sourced from PubChem (CID 164775713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).