(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane

C13H17FO3 — CID 91316153

IUPAC(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
SMILESCO[C@@H]1C[C@@H](F)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C13H17FO3/c1-15-13-7-11(14)12(17-13)9-16-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyXXYJTORLHFRZRM-UPJWGTAASA-N
MW240.27 g/mol
LogP2.30
Rot. Bonds5

About (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane

(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane (PubChem CID 91316153) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
PubChem CID91316153
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
SMILESCO[C@@H]1C[C@@H](F)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C13H17FO3/c1-15-13-7-11(14)12(17-13)9-16-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyXXYJTORLHFRZRM-UPJWGTAASA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
[(2S,3R)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-yl]methyl benzoate
CID 68926499
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610
(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(2R,4S,5S,6R)-3-deuterio-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10456375
(2R,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59651545
(2R,3R)-2-ethenyl-5-methoxy-3-(phenylmethoxymethyl)oxolane
CID 10944791
[(2S,3R)-2-[(4-bromophenyl)methoxymethyl]-5-methoxyoxolan-3-yl]methyl benzoate
CID 14840714
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
methyl 7-[4-hydroxy-6-methoxy-2-(phenylmethoxymethyl)oxan-3-yl]hept-6-enoate
CID 70624812

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane (CID 91316153) is (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane is CO[C@@H]1C[C@@H](F)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane?
The InChIKey is XXYJTORLHFRZRM-UPJWGTAASA-N. The full InChI is InChI=1S/C13H17FO3/c1-15-13-7-11(14)12(17-13)9-16-8-10-5-3-2-4-6-10/h2-6,11-13H,7-9H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane?
(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane has a molecular weight of 240.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 91316153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).