[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate

C11H19FO3 — CID 167562163

IUPAC[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate
SMILESCCC1O[C@H](F)C(OC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C11H19FO3/c1-5-9-6(2)7(3)10(11(12)15-9)14-8(4)13/h6-7,9-11H,5H2,1-4H3/t6-,7-,9?,10?,11-/m0/s1
InChIKeyWZXAWCZIHZBHHY-MZUYGLAGSA-N
MW218.27 g/mol
LogP2.29
Rot. Bonds2

About [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate

[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate (PubChem CID 167562163) has the molecular formula C11H19FO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate
PubChem CID167562163
Molecular FormulaC11H19FO3
Molecular Weight218.27 g/mol
Exact Mass218.13
IUPAC Name[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate
SMILESCCC1O[C@H](F)C(OC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C11H19FO3/c1-5-9-6(2)7(3)10(11(12)15-9)14-8(4)13/h6-7,9-11H,5H2,1-4H3/t6-,7-,9?,10?,11-/m0/s1
InChIKeyWZXAWCZIHZBHHY-MZUYGLAGSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate?
The IUPAC name of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate (CID 167562163) is [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate.
What is the SMILES notation for [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate?
The canonical SMILES for [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate is CCC1O[C@H](F)C(OC(C)=O)[C@@H](C)[C@@H]1C.
What is the InChIKey of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate?
The InChIKey is WZXAWCZIHZBHHY-MZUYGLAGSA-N. The full InChI is InChI=1S/C11H19FO3/c1-5-9-6(2)7(3)10(11(12)15-9)14-8(4)13/h6-7,9-11H,5H2,1-4H3/t6-,7-,9?,10?,11-/m0/s1.
What are the key properties of [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate?
[(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate has a molecular weight of 218.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S)-6-ethyl-2-fluoro-4,5-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 167562163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).