[(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane

C13H22F2O3Si — CID 67048710

IUPAC[(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(=C(F)F)CO[C@@H]21
InChIInChI=1S/C13H22F2O3Si/c1-13(2,3)19(4,5)18-9-7-17-10-8(12(14)15)6-16-11(9)10/h9-11H,6-7H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyRAZAUWFFZMGKRQ-GMTAPVOTSA-N
MW292.40 g/mol
LogP3.33
Rot. Bonds2

About [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 67048710) has the molecular formula C13H22F2O3Si and a molecular weight of 292.40 g/mol. Its IUPAC name is [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID67048710
Molecular FormulaC13H22F2O3Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name[(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(=C(F)F)CO[C@@H]21
InChIInChI=1S/C13H22F2O3Si/c1-13(2,3)19(4,5)18-9-7-17-10-8(12(14)15)6-16-11(9)10/h9-11H,6-7H2,1-5H3/t9-,10-,11-/m1/s1
InChIKeyRAZAUWFFZMGKRQ-GMTAPVOTSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane (CID 67048710) is [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@@H]2C(=C(F)F)CO[C@@H]21.
What is the InChIKey of [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is RAZAUWFFZMGKRQ-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H22F2O3Si/c1-13(2,3)19(4,5)18-9-7-17-10-8(12(14)15)6-16-11(9)10/h9-11H,6-7H2,1-5H3/t9-,10-,11-/m1/s1.
What are the key properties of [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 292.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,6aR)-6-(difluoromethylidene)-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 67048710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).