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

C19H17FO5 — CID 11035320

IUPAC[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)C[C@@H]1F)c1ccccc1
InChIInChI=1S/C19H17FO5/c20-15-11-17(25-19(22)14-9-5-2-6-10-14)24-16(15)12-23-18(21)13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-,16+,17-/m0/s1
InChIKeyZNXBUBYWMMRCRU-BBWFWOEESA-N
MW344.34 g/mol
LogP3.15
Rot. Bonds5

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

[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate (PubChem CID 11035320) has the molecular formula C19H17FO5 and a molecular weight of 344.34 g/mol. Its IUPAC name is [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
PubChem CID11035320
Molecular FormulaC19H17FO5
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)C[C@@H]1F)c1ccccc1
InChIInChI=1S/C19H17FO5/c20-15-11-17(25-19(22)14-9-5-2-6-10-14)24-16(15)12-23-18(21)13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-,16+,17-/m0/s1
InChIKeyZNXBUBYWMMRCRU-BBWFWOEESA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate
CID 101236200
[(2R,3R)-5-acetyloxy-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 71776144
[(2R,3S,5R)-5-diethoxyphosphanyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 11142915
[(2R,3R,4R,5S,6R)-4,5-dibenzoyloxy-3-fluoro-6-methyloxan-2-yl]methyl benzoate
CID 163770416
[(2R,3S,4S,5R,6S)-3,4-dibenzoyloxy-5-bromo-6-fluorooxan-2-yl]methyl benzoate
CID 101034409
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(4S)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 59915156
[(2R,3R,4R,6R)-3,4-dibenzoyloxy-6-hydroperoxyoxan-2-yl]methyl benzoate
CID 134928682
[(2S,3S,4S)-5-acetyloxy-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 70023780
[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 10914900
[(2R,3R,4R,5R)-4,5-dibenzoyloxy-6-bromo-3-fluorooxan-2-yl]methyl benzoate
CID 67119991

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate (CID 11035320) is [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate is O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)C[C@@H]1F)c1ccccc1.
What is the InChIKey of [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
The InChIKey is ZNXBUBYWMMRCRU-BBWFWOEESA-N. The full InChI is InChI=1S/C19H17FO5/c20-15-11-17(25-19(22)14-9-5-2-6-10-14)24-16(15)12-23-18(21)13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-,16+,17-/m0/s1.
What are the key properties of [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate?
[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate has a molecular weight of 344.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 11035320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).