[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate

C8H9F3O4 — CID 145105701

IUPAC[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate
SMILESO=C(O[C@@H]1COC2CCOC21)C(F)(F)F
InChIInChI=1S/C8H9F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h4-6H,1-3H2/t4?,5-,6?/m1/s1
InChIKeyXAALUOSDJABWSK-INWUZDNDSA-N
MW226.15 g/mol
LogP0.65
Rot. Bonds1

About [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate

[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate (PubChem CID 145105701) has the molecular formula C8H9F3O4 and a molecular weight of 226.15 g/mol. Its IUPAC name is [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate
PubChem CID145105701
Molecular FormulaC8H9F3O4
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate
SMILESO=C(O[C@@H]1COC2CCOC21)C(F)(F)F
InChIInChI=1S/C8H9F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h4-6H,1-3H2/t4?,5-,6?/m1/s1
InChIKeyXAALUOSDJABWSK-INWUZDNDSA-N
XLogP0.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate (CID 145105701) is [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate is O=C(O[C@@H]1COC2CCOC21)C(F)(F)F.
What is the InChIKey of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate?
The InChIKey is XAALUOSDJABWSK-INWUZDNDSA-N. The full InChI is InChI=1S/C8H9F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h4-6H,1-3H2/t4?,5-,6?/m1/s1.
What are the key properties of [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate?
[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate has a molecular weight of 226.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 145105701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).