[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate

C15H19FO4 — CID 70950384

IUPAC[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate
SMILESCC[C@H]1OC(OC)C(C)(F)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C15H19FO4/c1-4-11-12(15(2,16)14(18-3)19-11)20-13(17)10-8-6-5-7-9-10/h5-9,11-12,14H,4H2,1-3H3/t11-,12-,14?,15?/m1/s1
InChIKeyOLXWVCJPJWRFNK-HGWMRPEMSA-N
MW282.31 g/mol
LogP2.72
Rot. Bonds4

About [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate

[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate (PubChem CID 70950384) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate
PubChem CID70950384
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate
SMILESCC[C@H]1OC(OC)C(C)(F)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C15H19FO4/c1-4-11-12(15(2,16)14(18-3)19-11)20-13(17)10-8-6-5-7-9-10/h5-9,11-12,14H,4H2,1-3H3/t11-,12-,14?,15?/m1/s1
InChIKeyOLXWVCJPJWRFNK-HGWMRPEMSA-N
XLogP2.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R,4R,5R)-5-acetyloxy-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 90333374
[(2R)-2-ethyl-4,4-difluoro-5-methylsulfonyloxyoxolan-3-yl] benzoate
CID 88552204
(3-benzoyloxy-4-fluoro-4-methyl-5-methylsulfonyloxyoxolan-2-yl)methyl benzoate
CID 118930469
[(3S,4R,5R)-3-bromo-5-ethyl-3-fluoro-4-methyloxolan-2-yl] benzoate
CID 126629638
[(3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 59583577
[(2R,3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 53305815
[(1S,3S,4S,4aS,7aR)-3-(bromomethyl)-7a-hydroxy-1-methoxy-4a-methyl-1,3,4,5,6,7-hexahydrocyclopenta[c]pyran-4-yl] benzoate
CID 10620926
[(3S,4S,5R)-5-ethyl-3-(hydroxymethyl)-3,4-dimethyloxolan-2-yl] benzoate
CID 160965809
[(2R,3R,5R)-3,5-dibenzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate
CID 141214431
[(2R,3S,4R)-3-benzoyloxy-4-ethenyl-5-methoxy-4-methyloxolan-2-yl]methyl benzoate
CID 134352866
(3-benzoyloxy-4-fluoro-4-methyl-5-pentyloxolan-2-yl)methyl benzoate
CID 130403763
[(3R,5S)-3,4,5-tribenzoyloxy-4-methyloxolan-2-yl]methyl benzoate
CID 91324397

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate?
The IUPAC name of [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate (CID 70950384) is [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate.
What is the SMILES notation for [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate?
The canonical SMILES for [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate is CC[C@H]1OC(OC)C(C)(F)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate?
The InChIKey is OLXWVCJPJWRFNK-HGWMRPEMSA-N. The full InChI is InChI=1S/C15H19FO4/c1-4-11-12(15(2,16)14(18-3)19-11)20-13(17)10-8-6-5-7-9-10/h5-9,11-12,14H,4H2,1-3H3/t11-,12-,14?,15?/m1/s1.
What are the key properties of [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate?
[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate has a molecular weight of 282.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate is sourced from PubChem (CID 70950384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).