[(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate

C10H13FO4 — CID 102387094

IUPAC[(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate
SMILESCC(=O)OC[C@]1(F)C(=O)C[C@@H]2CC[C@H]1O2
InChIInChI=1S/C10H13FO4/c1-6(12)14-5-10(11)8(13)4-7-2-3-9(10)15-7/h7,9H,2-5H2,1H3/t7-,9+,10-/m0/s1
InChIKeyZZPYECXLPRCDKG-SFGNSQDASA-N
MW216.21 g/mol
LogP0.78
Rot. Bonds2

About [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate

[(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate (PubChem CID 102387094) has the molecular formula C10H13FO4 and a molecular weight of 216.21 g/mol. Its IUPAC name is [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate
PubChem CID102387094
Molecular FormulaC10H13FO4
Molecular Weight216.21 g/mol
Exact Mass216.08
IUPAC Name[(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate
SMILESCC(=O)OC[C@]1(F)C(=O)C[C@@H]2CC[C@H]1O2
InChIInChI=1S/C10H13FO4/c1-6(12)14-5-10(11)8(13)4-7-2-3-9(10)15-7/h7,9H,2-5H2,1H3/t7-,9+,10-/m0/s1
InChIKeyZZPYECXLPRCDKG-SFGNSQDASA-N
XLogP0.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate?
The IUPAC name of [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate (CID 102387094) is [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate.
What is the SMILES notation for [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate?
The canonical SMILES for [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate is CC(=O)OC[C@]1(F)C(=O)C[C@@H]2CC[C@H]1O2.
What is the InChIKey of [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate?
The InChIKey is ZZPYECXLPRCDKG-SFGNSQDASA-N. The full InChI is InChI=1S/C10H13FO4/c1-6(12)14-5-10(11)8(13)4-7-2-3-9(10)15-7/h7,9H,2-5H2,1H3/t7-,9+,10-/m0/s1.
What are the key properties of [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate?
[(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate has a molecular weight of 216.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-2-fluoro-3-oxo-8-oxabicyclo[3.2.1]octan-2-yl]methyl acetate is sourced from PubChem (CID 102387094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).