[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate

C12H11FO5 — CID 71044137

IUPAC[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(=O)C(F)C1O)c1ccccc1
InChIInChI=1S/C12H11FO5/c13-9-10(14)8(18-12(9)16)6-17-11(15)7-4-2-1-3-5-7/h1-5,8-10,14H,6H2/t8-,9?,10?/m1/s1
InChIKeyPQSHNAOLXMQFGQ-XNWIYYODSA-N
MW254.21 g/mol
LogP0.47
Rot. Bonds3

About [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate

[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate (PubChem CID 71044137) has the molecular formula C12H11FO5 and a molecular weight of 254.21 g/mol. Its IUPAC name is [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate
PubChem CID71044137
Molecular FormulaC12H11FO5
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(=O)C(F)C1O)c1ccccc1
InChIInChI=1S/C12H11FO5/c13-9-10(14)8(18-12(9)16)6-17-11(15)7-4-2-1-3-5-7/h1-5,8-10,14H,6H2/t8-,9?,10?/m1/s1
InChIKeyPQSHNAOLXMQFGQ-XNWIYYODSA-N
XLogP0.47
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 175174191
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924
[(2R)-3-benzoyloxy-4-methyl-5-oxooxolan-2-yl]methyl benzoate
CID 89490373
[(1R,3S,4R,6R)-6-(benzoyloxymethyl)-2,5-dioxabicyclo[2.2.0]hexan-3-yl]methyl benzoate
CID 124525264
[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-methoxyoxolan-2-yl]methyl benzoate
CID 101037423
[(2R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate
CID 45038807
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
CID 162141889
CID 162141889
[(2R,3S,4S,5R,6S)-4,5-dibenzoyloxy-3,6-dihydroxyoxan-2-yl]methyl benzoate
CID 56619465
[(2R,3R,4R)-4-benzoyloxy-3-fluorooxolan-2-yl]methyl benzoate
CID 10914900
[(4R)-4,5-dihydroxy-3-methoxyoxolan-2-yl]methyl benzoate
CID 130233330

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate (CID 71044137) is [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC(=O)C(F)C1O)c1ccccc1.
What is the InChIKey of [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate?
The InChIKey is PQSHNAOLXMQFGQ-XNWIYYODSA-N. The full InChI is InChI=1S/C12H11FO5/c13-9-10(14)8(18-12(9)16)6-17-11(15)7-4-2-1-3-5-7/h1-5,8-10,14H,6H2/t8-,9?,10?/m1/s1.
What are the key properties of [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate?
[(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate has a molecular weight of 254.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-fluoro-3-hydroxy-5-oxooxolan-2-yl]methyl benzoate is sourced from PubChem (CID 71044137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).