[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate

C19H17FO5 — CID 10914900

IUPAC[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC[C@@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1
InChIInChI=1S/C19H17FO5/c20-17-15(11-24-18(21)13-7-3-1-4-8-13)23-12-16(17)25-19(22)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m1/s1
InChIKeyNIISUEAAAIMDGQ-BRWVUGGUSA-N
MW344.34 g/mol
LogP2.81
Rot. Bonds5

About [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate

[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate (PubChem CID 10914900) has the molecular formula C19H17FO5 and a molecular weight of 344.34 g/mol. Its IUPAC name is [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
PubChem CID10914900
Molecular FormulaC19H17FO5
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC[C@@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1
InChIInChI=1S/C19H17FO5/c20-17-15(11-24-18(21)13-7-3-1-4-8-13)23-12-16(17)25-19(22)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m1/s1
InChIKeyNIISUEAAAIMDGQ-BRWVUGGUSA-N
XLogP2.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90257226
[(3R,3aS,6R,6aS)-6-benzoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] benzoate
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[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
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[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
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[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
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[(2R,3R,4R,5R)-4,5-dibenzoyloxy-6-bromo-3-fluorooxan-2-yl]methyl benzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate (CID 10914900) is [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC[C@@H](OC(=O)c2ccccc2)[C@@H]1F)c1ccccc1.
What is the InChIKey of [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The InChIKey is NIISUEAAAIMDGQ-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H17FO5/c20-17-15(11-24-18(21)13-7-3-1-4-8-13)23-12-16(17)25-19(22)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-,16-,17-/m1/s1.
What are the key properties of [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate has a molecular weight of 344.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 10914900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).