[(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate

C8H11FO4 — CID 163542637

IUPAC[(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)[C@@H](F)[C@H]1C
InChIInChI=1S/C8H11FO4/c1-4-6(3-12-5(2)10)13-8(11)7(4)9/h4,6-7H,3H2,1-2H3/t4-,6+,7-/m0/s1
InChIKeyFCJZDPWFFWMLRZ-JHYUDYDFSA-N
MW190.17 g/mol
LogP0.45
Rot. Bonds2

About [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate

[(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate (PubChem CID 163542637) has the molecular formula C8H11FO4 and a molecular weight of 190.17 g/mol. Its IUPAC name is [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate
PubChem CID163542637
Molecular FormulaC8H11FO4
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name[(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(=O)[C@@H](F)[C@H]1C
InChIInChI=1S/C8H11FO4/c1-4-6(3-12-5(2)10)13-8(11)7(4)9/h4,6-7H,3H2,1-2H3/t4-,6+,7-/m0/s1
InChIKeyFCJZDPWFFWMLRZ-JHYUDYDFSA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate?
The IUPAC name of [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate (CID 163542637) is [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate?
The canonical SMILES for [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(=O)[C@@H](F)[C@H]1C.
What is the InChIKey of [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate?
The InChIKey is FCJZDPWFFWMLRZ-JHYUDYDFSA-N. The full InChI is InChI=1S/C8H11FO4/c1-4-6(3-12-5(2)10)13-8(11)7(4)9/h4,6-7H,3H2,1-2H3/t4-,6+,7-/m0/s1.
What are the key properties of [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate?
[(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate has a molecular weight of 190.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S)-4-fluoro-3-methyl-5-oxooxolan-2-yl]methyl acetate is sourced from PubChem (CID 163542637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).