[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate

C11H15FO7 — CID 54559417

IUPAC[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1O[C@H](CF)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H15FO7/c1-5(13)16-9-8(4-12)19-11(18-7(3)15)10(9)17-6(2)14/h8-11H,4H2,1-3H3/t8-,9-,10-,11?/m1/s1
InChIKeyZPMKLVJPAIKLDU-QHPFDFDXSA-N
MW278.23 g/mol
LogP0.11
Rot. Bonds4

About [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate

[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate (PubChem CID 54559417) has the molecular formula C11H15FO7 and a molecular weight of 278.23 g/mol. Its IUPAC name is [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate
PubChem CID54559417
Molecular FormulaC11H15FO7
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1O[C@H](CF)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H15FO7/c1-5(13)16-9-8(4-12)19-11(18-7(3)15)10(9)17-6(2)14/h8-11H,4H2,1-3H3/t8-,9-,10-,11?/m1/s1
InChIKeyZPMKLVJPAIKLDU-QHPFDFDXSA-N
XLogP0.11
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[4,5,6-triacetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 539135
[(2S,3S,4S,5R,6S)-4,5,6-triacetyloxy-2-(bromomethyl)oxan-3-yl] acetate
CID 11384338
[(2R,3R,4S,5R)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 10948022
[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 11013486
[(2R,3S,5R,6S)-4,5,6-triacetyloxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 168814836
[4,5,6-triacetyloxy-2-(chloromethyl)oxan-3-yl] acetate
CID 575606
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate?
The IUPAC name of [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate (CID 54559417) is [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate is CC(=O)OC1O[C@H](CF)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate?
The InChIKey is ZPMKLVJPAIKLDU-QHPFDFDXSA-N. The full InChI is InChI=1S/C11H15FO7/c1-5(13)16-9-8(4-12)19-11(18-7(3)15)10(9)17-6(2)14/h8-11H,4H2,1-3H3/t8-,9-,10-,11?/m1/s1.
What are the key properties of [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate?
[(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate has a molecular weight of 278.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-4,5-diacetyloxy-2-(fluoromethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 54559417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).