(3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C8H11F3O4 — CID 145105707

IUPAC(3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESOC1CO[C@@H]2C(OCC(F)(F)F)CO[C@H]12
InChIInChI=1S/C8H11F3O4/c9-8(10,11)3-15-5-2-14-6-4(12)1-13-7(5)6/h4-7,12H,1-3H2/t4?,5?,6-,7-/m1/s1
InChIKeyXUWJDQJCIFLJFR-TVVDDFTJSA-N
MW228.17 g/mol
LogP0.09
Rot. Bonds2

About (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 145105707) has the molecular formula C8H11F3O4 and a molecular weight of 228.17 g/mol. Its IUPAC name is (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID145105707
Molecular FormulaC8H11F3O4
Molecular Weight228.17 g/mol
Exact Mass228.06
IUPAC Name(3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESOC1CO[C@@H]2C(OCC(F)(F)F)CO[C@H]12
InChIInChI=1S/C8H11F3O4/c9-8(10,11)3-15-5-2-14-6-4(12)1-13-7(5)6/h4-7,12H,1-3H2/t4?,5?,6-,7-/m1/s1
InChIKeyXUWJDQJCIFLJFR-TVVDDFTJSA-N
XLogP0.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 145105707) is (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is OC1CO[C@@H]2C(OCC(F)(F)F)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is XUWJDQJCIFLJFR-TVVDDFTJSA-N. The full InChI is InChI=1S/C8H11F3O4/c9-8(10,11)3-15-5-2-14-6-4(12)1-13-7(5)6/h4-7,12H,1-3H2/t4?,5?,6-,7-/m1/s1.
What are the key properties of (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 228.17 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 145105707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).