[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate

C20H19FO5 — CID 58741926

IUPAC[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
SMILESCC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](F)[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19FO5/c1-2-15-17(25-18(22)13-9-5-3-6-10-13)16(21)20(24-15)26-19(23)14-11-7-4-8-12-14/h3-12,15-17,20H,2H2,1H3/t15-,16+,17-,20-/m0/s1
InChIKeyZKZCPVGEBCIFMQ-CLWJZODNSA-N
MW358.37 g/mol
LogP3.54
Rot. Bonds5

About [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate

[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate (PubChem CID 58741926) has the molecular formula C20H19FO5 and a molecular weight of 358.37 g/mol. Its IUPAC name is [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate.

Molecular Properties

Compound Name[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
PubChem CID58741926
Molecular FormulaC20H19FO5
Molecular Weight358.37 g/mol
Exact Mass358.12
IUPAC Name[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
SMILESCC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](F)[C@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19FO5/c1-2-15-17(25-18(22)13-9-5-3-6-10-13)16(21)20(24-15)26-19(23)14-11-7-4-8-12-14/h3-12,15-17,20H,2H2,1H3/t15-,16+,17-,20-/m0/s1
InChIKeyZKZCPVGEBCIFMQ-CLWJZODNSA-N
XLogP3.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate with MolForge

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Related Compounds

[(2R,3R,4S,5R)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 170213383
[(2R,3R,5S)-5-bromo-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 89374199
[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 59915156
(5-bromo-2-ethyl-4-fluorooxolan-3-yl) benzoate
CID 20747746
[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl 4-methylbenzoate
CID 101019750
acetonitrile;(3,5-dibenzoyloxy-4-fluorooxolan-2-yl)methyl benzoate
CID 91544992
[(2S,3S,4S)-5-acetyloxy-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 70023780
[(2R,4S,5R)-5-benzoyloxy-2-ethyl-4-(trifluoromethylsulfonyloxy)oxolan-3-yl] benzoate
CID 88548426
[(2R,4S)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 159107500
[(2R,3R,4R)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 170041809
[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate
CID 121355233
[(2R,4S,5R)-2-benzoyloxy-5-ethyl-4-(2-phenylethyl)oxolan-3-yl] benzoate
CID 174151369

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate?
The IUPAC name of [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate (CID 58741926) is [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate.
What is the SMILES notation for [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate?
The canonical SMILES for [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate is CC[C@@H]1O[C@@H](OC(=O)c2ccccc2)[C@H](F)[C@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate?
The InChIKey is ZKZCPVGEBCIFMQ-CLWJZODNSA-N. The full InChI is InChI=1S/C20H19FO5/c1-2-15-17(25-18(22)13-9-5-3-6-10-13)16(21)20(24-15)26-19(23)14-11-7-4-8-12-14/h3-12,15-17,20H,2H2,1H3/t15-,16+,17-,20-/m0/s1.
What are the key properties of [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate?
[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate has a molecular weight of 358.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate is sourced from PubChem (CID 58741926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).