[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate

C10H15F3O7S — CID 11371090

IUPAC[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate
SMILESCO[C@@H]1O[C@H](COS(=O)(=O)C(F)(F)F)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H15F3O7S/c1-9(2)19-6-5(18-8(16-3)7(6)20-9)4-17-21(14,15)10(11,12)13/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKeyWMVLHICHFPNQAM-WCTZXXKLSA-N
MW336.28 g/mol
LogP0.74
Rot. Bonds4

About [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate

[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate (PubChem CID 11371090) has the molecular formula C10H15F3O7S and a molecular weight of 336.28 g/mol. Its IUPAC name is [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate.

Molecular Properties

Compound Name[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate
PubChem CID11371090
Molecular FormulaC10H15F3O7S
Molecular Weight336.28 g/mol
Exact Mass336.05
IUPAC Name[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate
SMILESCO[C@@H]1O[C@H](COS(=O)(=O)C(F)(F)F)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C10H15F3O7S/c1-9(2)19-6-5(18-8(16-3)7(6)20-9)4-17-21(14,15)10(11,12)13/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1
InChIKeyWMVLHICHFPNQAM-WCTZXXKLSA-N
XLogP0.74
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate?
The IUPAC name of [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate (CID 11371090) is [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate.
What is the SMILES notation for [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate?
The canonical SMILES for [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate is CO[C@@H]1O[C@H](COS(=O)(=O)C(F)(F)F)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate?
The InChIKey is WMVLHICHFPNQAM-WCTZXXKLSA-N. The full InChI is InChI=1S/C10H15F3O7S/c1-9(2)19-6-5(18-8(16-3)7(6)20-9)4-17-21(14,15)10(11,12)13/h5-8H,4H2,1-3H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate?
[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate has a molecular weight of 336.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl trifluoromethanesulfonate is sourced from PubChem (CID 11371090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).