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

C8H11F3O3 — CID 145105705

IUPAC(3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESFC(F)(F)COC1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C8H11F3O3/c9-8(10,11)4-14-6-3-13-5-1-2-12-7(5)6/h5-7H,1-4H2/t5-,6?,7+/m1/s1
InChIKeyQVFMZVBNDPLCMK-UYMSWOSGSA-N
MW212.17 g/mol
LogP1.12
Rot. Bonds2

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

(3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 145105705) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID145105705
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name(3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESFC(F)(F)COC1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C8H11F3O3/c9-8(10,11)4-14-6-3-13-5-1-2-12-7(5)6/h5-7H,1-4H2/t5-,6?,7+/m1/s1
InChIKeyQVFMZVBNDPLCMK-UYMSWOSGSA-N
XLogP1.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 145105705) is (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is FC(F)(F)COC1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is QVFMZVBNDPLCMK-UYMSWOSGSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)4-14-6-3-13-5-1-2-12-7(5)6/h5-7H,1-4H2/t5-,6?,7+/m1/s1.
What are the key properties of (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 212.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6-(2,2,2-trifluoroethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 145105705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).