[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate

C10H15F3O6S — CID 176697932

IUPAC[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate
SMILESCC1(C)OC[C@H]([C@H]2OCC[C@H]2OS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C10H15F3O6S/c1-9(2)17-5-7(18-9)8-6(3-4-16-8)19-20(14,15)10(11,12)13/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyBRJXNKOBNHORFC-PRJMDXOYSA-N
MW320.29 g/mol
LogP1.16
Rot. Bonds3

About [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate

[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate (PubChem CID 176697932) has the molecular formula C10H15F3O6S and a molecular weight of 320.29 g/mol. Its IUPAC name is [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate
PubChem CID176697932
Molecular FormulaC10H15F3O6S
Molecular Weight320.29 g/mol
Exact Mass320.05
IUPAC Name[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate
SMILESCC1(C)OC[C@H]([C@H]2OCC[C@H]2OS(=O)(=O)C(F)(F)F)O1
InChIInChI=1S/C10H15F3O6S/c1-9(2)17-5-7(18-9)8-6(3-4-16-8)19-20(14,15)10(11,12)13/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKeyBRJXNKOBNHORFC-PRJMDXOYSA-N
XLogP1.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate with MolForge

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Launch Full Analysis

Related Compounds

4-[(2S,3R)-3-fluorooxolan-2-yl]-2,2-dimethyl-1,3-dioxolane;propane-2,2-diol
CID 167510900
(2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl) trifluoromethanesulfonate
CID 72815896
[(3R,4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate
CID 10939097
[(3R,3aR,6S,6aS)-6-(trifluoromethylsulfonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 101489532
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl trifluoromethanesulfonate
CID 59158516
[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] hydrogen sulfate
CID 101418336
[(3S,6S)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] trifluoromethanesulfonate
CID 118669106
(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyloxan-4-one
CID 10608665
[(2S,4S,5R)-2-cyclohexyl-5-fluorooxan-4-yl] trifluoromethanesulfonate
CID 101403612
[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl] trifluoromethanesulfonate
CID 100943789
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 157243709
2,2-dimethyl-4-(oxolan-2-yl)-1,3-dioxolane;2-methoxypropan-2-ol
CID 143391198

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate?
The IUPAC name of [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate (CID 176697932) is [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate.
What is the SMILES notation for [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate?
The canonical SMILES for [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate is CC1(C)OC[C@H]([C@H]2OCC[C@H]2OS(=O)(=O)C(F)(F)F)O1.
What is the InChIKey of [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate?
The InChIKey is BRJXNKOBNHORFC-PRJMDXOYSA-N. The full InChI is InChI=1S/C10H15F3O6S/c1-9(2)17-5-7(18-9)8-6(3-4-16-8)19-20(14,15)10(11,12)13/h6-8H,3-5H2,1-2H3/t6-,7-,8+/m1/s1.
What are the key properties of [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate?
[(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate has a molecular weight of 320.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] trifluoromethanesulfonate is sourced from PubChem (CID 176697932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).