[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

C10H17FO4 — CID 129300054

IUPAC[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1C[C@H](F)C(O)O1
InChIInChI=1S/C10H17FO4/c1-10(2,3)9(13)14-5-6-4-7(11)8(12)15-6/h6-8,12H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyCPDYCTQMHWABPE-WPZUCAASSA-N
MW220.24 g/mol
LogP1.02
Rot. Bonds2

About [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate

[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 129300054) has the molecular formula C10H17FO4 and a molecular weight of 220.24 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID129300054
Molecular FormulaC10H17FO4
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1C[C@H](F)C(O)O1
InChIInChI=1S/C10H17FO4/c1-10(2,3)9(13)14-5-6-4-7(11)8(12)15-6/h6-8,12H,4-5H2,1-3H3/t6-,7-,8?/m0/s1
InChIKeyCPDYCTQMHWABPE-WPZUCAASSA-N
XLogP1.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate (CID 129300054) is [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@@H]1C[C@H](F)C(O)O1.
What is the InChIKey of [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is CPDYCTQMHWABPE-WPZUCAASSA-N. The full InChI is InChI=1S/C10H17FO4/c1-10(2,3)9(13)14-5-6-4-7(11)8(12)15-6/h6-8,12H,4-5H2,1-3H3/t6-,7-,8?/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 220.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-5-hydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 129300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).