[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate

C20H19FO5 — CID 101236200

IUPAC[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate
SMILESCC(=O)O[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C20H19FO5/c1-13(22)25-19-11-17(21)18(26-19)12-24-20(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-19H,11-12H2,1H3/t17-,18+,19-/m0/s1
InChIKeyJNNFSFSMHMLSHS-OTWHNJEPSA-N
MW358.37 g/mol
LogP3.53
Rot. Bonds5

About [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate

[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate (PubChem CID 101236200) has the molecular formula C20H19FO5 and a molecular weight of 358.37 g/mol. Its IUPAC name is [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate
PubChem CID101236200
Molecular FormulaC20H19FO5
Molecular Weight358.37 g/mol
Exact Mass358.12
IUPAC Name[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate
SMILESCC(=O)O[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C20H19FO5/c1-13(22)25-19-11-17(21)18(26-19)12-24-20(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-19H,11-12H2,1H3/t17-,18+,19-/m0/s1
InChIKeyJNNFSFSMHMLSHS-OTWHNJEPSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S,5S)-5-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 11035320
[(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
[(2S,3S,4S)-5-acetyloxy-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 70023780
[(2R,3R,4R,5S,6R)-4,5-dibenzoyloxy-3-fluoro-6-methyloxan-2-yl]methyl benzoate
CID 163770416
(4-acetyloxy-3-methoxy-5-methyloxolan-2-yl)methyl benzoate
CID 167200917
[(2S,3R,4R,5S)-4,5-diacetyloxy-3-(trifluoromethyl)oxolan-2-yl]methyl benzoate
CID 10810403
[(2R,4S,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 2783912
[(2S,3S,4R,5R)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 44629946
[(2R,3R,4R,5S)-5-acetyloxy-3,4-dibenzoyloxy(513C)oxolan-2-yl]methyl benzoate
CID 165412453
[(2S)-5-acetyloxythiolan-2-yl]methyl 4-phenylbenzoate
CID 118338063
[(2S,3R,4R,5S)-5-acetyloxy-3,4-dihydroxyoxolan-2-yl]methyl benzoate
CID 22215551

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate?
The IUPAC name of [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate (CID 101236200) is [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate.
What is the SMILES notation for [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate?
The canonical SMILES for [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate is CC(=O)O[C@@H]1C[C@H](F)[C@@H](COC(=O)c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate?
The InChIKey is JNNFSFSMHMLSHS-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H19FO5/c1-13(22)25-19-11-17(21)18(26-19)12-24-20(23)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-19H,11-12H2,1H3/t17-,18+,19-/m0/s1.
What are the key properties of [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate?
[(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate has a molecular weight of 358.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-acetyloxy-3-fluorooxolan-2-yl]methyl 4-phenylbenzoate is sourced from PubChem (CID 101236200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).