[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate

C10H17FO3 — CID 118594394

IUPAC[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate
SMILESCC[C@@]1(C)OC(OC(C)=O)[C@H](F)[C@@H]1C
InChIInChI=1S/C10H17FO3/c1-5-10(4)6(2)8(11)9(14-10)13-7(3)12/h6,8-9H,5H2,1-4H3/t6-,8+,9?,10+/m0/s1
InChIKeyAVIQFJOAJVTZRF-XRJPJHKYSA-N
MW204.24 g/mol
LogP2.05
Rot. Bonds2

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

[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate (PubChem CID 118594394) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate
PubChem CID118594394
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate
SMILESCC[C@@]1(C)OC(OC(C)=O)[C@H](F)[C@@H]1C
InChIInChI=1S/C10H17FO3/c1-5-10(4)6(2)8(11)9(14-10)13-7(3)12/h6,8-9H,5H2,1-4H3/t6-,8+,9?,10+/m0/s1
InChIKeyAVIQFJOAJVTZRF-XRJPJHKYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate?
The IUPAC name of [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate (CID 118594394) is [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate.
What is the SMILES notation for [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate?
The canonical SMILES for [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate is CC[C@@]1(C)OC(OC(C)=O)[C@H](F)[C@@H]1C.
What is the InChIKey of [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate?
The InChIKey is AVIQFJOAJVTZRF-XRJPJHKYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-5-10(4)6(2)8(11)9(14-10)13-7(3)12/h6,8-9H,5H2,1-4H3/t6-,8+,9?,10+/m0/s1.
What are the key properties of [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate?
[(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate has a molecular weight of 204.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-5-ethyl-3-fluoro-4,5-dimethyloxolan-2-yl] acetate is sourced from PubChem (CID 118594394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).