[(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate

C11H15F3O5 — CID 143687295

IUPAC[(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate
SMILESCC[C@H](C)[C@@H]1C(=O)OC(OC)[C@@H]1OC(=O)C(F)(F)F
InChIInChI=1S/C11H15F3O5/c1-4-5(2)6-7(9(17-3)19-8(6)15)18-10(16)11(12,13)14/h5-7,9H,4H2,1-3H3/t5-,6-,7+,9?/m0/s1
InChIKeyZVMQPDAXGMYCID-CRNPJGAVSA-N
MW284.23 g/mol
LogP1.65
Rot. Bonds4

About [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate

[(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate (PubChem CID 143687295) has the molecular formula C11H15F3O5 and a molecular weight of 284.23 g/mol. Its IUPAC name is [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate
PubChem CID143687295
Molecular FormulaC11H15F3O5
Molecular Weight284.23 g/mol
Exact Mass284.09
IUPAC Name[(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate
SMILESCC[C@H](C)[C@@H]1C(=O)OC(OC)[C@@H]1OC(=O)C(F)(F)F
InChIInChI=1S/C11H15F3O5/c1-4-5(2)6-7(9(17-3)19-8(6)15)18-10(16)11(12,13)14/h5-7,9H,4H2,1-3H3/t5-,6-,7+,9?/m0/s1
InChIKeyZVMQPDAXGMYCID-CRNPJGAVSA-N
XLogP1.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate (CID 143687295) is [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate is CC[C@H](C)[C@@H]1C(=O)OC(OC)[C@@H]1OC(=O)C(F)(F)F.
What is the InChIKey of [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is ZVMQPDAXGMYCID-CRNPJGAVSA-N. The full InChI is InChI=1S/C11H15F3O5/c1-4-5(2)6-7(9(17-3)19-8(6)15)18-10(16)11(12,13)14/h5-7,9H,4H2,1-3H3/t5-,6-,7+,9?/m0/s1.
What are the key properties of [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate?
[(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 284.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-[(2S)-butan-2-yl]-2-methoxy-5-oxooxolan-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 143687295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).