(3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one

C13H15FO4 — CID 102357575

IUPAC(3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@]1(F)C(=O)O[C@H](COCc2ccccc2)[C@H]1O
InChIInChI=1S/C13H15FO4/c1-13(14)11(15)10(18-12(13)16)8-17-7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3/t10-,11-,13-/m1/s1
InChIKeyXCFWYMWTYQTAIT-NQBHXWOUSA-N
MW254.26 g/mol
LogP1.22
Rot. Bonds4

About (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one

(3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 102357575) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID102357575
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name(3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@]1(F)C(=O)O[C@H](COCc2ccccc2)[C@H]1O
InChIInChI=1S/C13H15FO4/c1-13(14)11(15)10(18-12(13)16)8-17-7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3/t10-,11-,13-/m1/s1
InChIKeyXCFWYMWTYQTAIT-NQBHXWOUSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one (CID 102357575) is (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one is C[C@]1(F)C(=O)O[C@H](COCc2ccccc2)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is XCFWYMWTYQTAIT-NQBHXWOUSA-N. The full InChI is InChI=1S/C13H15FO4/c1-13(14)11(15)10(18-12(13)16)8-17-7-9-5-3-2-4-6-9/h2-6,10-11,15H,7-8H2,1H3/t10-,11-,13-/m1/s1.
What are the key properties of (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
(3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 254.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 102357575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).