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

C7H9F3O3S — CID 145105708

IUPAC(3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESFC(F)(F)SOC1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C7H9F3O3S/c8-7(9,10)14-13-5-3-12-4-1-2-11-6(4)5/h4-6H,1-3H2/t4-,5?,6+/m1/s1
InChIKeyMUEXNXLEARGOKN-QBQQJPCDSA-N
MW230.21 g/mol
LogP1.73
Rot. Bonds2

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

(3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 145105708) has the molecular formula C7H9F3O3S and a molecular weight of 230.21 g/mol. Its IUPAC name is (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID145105708
Molecular FormulaC7H9F3O3S
Molecular Weight230.21 g/mol
Exact Mass230.02
IUPAC Name(3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESFC(F)(F)SOC1CO[C@@H]2CCO[C@H]12
InChIInChI=1S/C7H9F3O3S/c8-7(9,10)14-13-5-3-12-4-1-2-11-6(4)5/h4-6H,1-3H2/t4-,5?,6+/m1/s1
InChIKeyMUEXNXLEARGOKN-QBQQJPCDSA-N
XLogP1.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 145105708) is (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is FC(F)(F)SOC1CO[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is MUEXNXLEARGOKN-QBQQJPCDSA-N. The full InChI is InChI=1S/C7H9F3O3S/c8-7(9,10)14-13-5-3-12-4-1-2-11-6(4)5/h4-6H,1-3H2/t4-,5?,6+/m1/s1.
What are the key properties of (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 230.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6-(trifluoromethylsulfanyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 145105708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).