ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate

C11H15F3O7S — CID 175827229

IUPACethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate
SMILESCCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C[C@](C)(COC)O1
InChIInChI=1S/C11H15F3O7S/c1-4-19-9(15)8-7(5-10(2,20-8)6-18-3)21-22(16,17)11(12,13)14/h4-6H2,1-3H3/t10-/m1/s1
InChIKeyLLVFWMYYPVSQPZ-SNVBAGLBSA-N
MW348.30 g/mol
LogP1.45
Rot. Bonds6

About ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate

ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate (PubChem CID 175827229) has the molecular formula C11H15F3O7S and a molecular weight of 348.30 g/mol. Its IUPAC name is ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate
PubChem CID175827229
Molecular FormulaC11H15F3O7S
Molecular Weight348.30 g/mol
Exact Mass348.05
IUPAC Nameethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate
SMILESCCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C[C@](C)(COC)O1
InChIInChI=1S/C11H15F3O7S/c1-4-19-9(15)8-7(5-10(2,20-8)6-18-3)21-22(16,17)11(12,13)14/h4-6H2,1-3H3/t10-/m1/s1
InChIKeyLLVFWMYYPVSQPZ-SNVBAGLBSA-N
XLogP1.45
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 51.45
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'}

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Related Compounds

ethyl (2R)-2,3-dimethyl-2-(trifluoromethyl)-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate
CID 175537772
ethyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate
CID 2779887
ethyl 2-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyran-5-carboxylate
CID 176996413
5-ethoxycarbonyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87606546
methyl 4-methyl-4-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
CID 178085623
ethyl 8-bromo-2,2-dimethyl-4-(trifluoromethylsulfonyloxy)chromene-3-carboxylate
CID 166069622
ethyl 5-phenyl-3,6-dihydro-2H-pyran-4-carboxylate;ethyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyran-4-carboxylate
CID 159275978
ethyl 6-methyl-2,4-bis(trifluoromethylsulfonyloxy)pyridine-3-carboxylate
CID 11317157
ethyl (1S)-1-methyl-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
CID 129379274
[4-(methoxymethyl)-4-methylcyclohexen-1-yl] trifluoromethanesulfonate
CID 139451508
ethane;ethyl 4-(trifluoromethylsulfonyloxy)pyridine-2-carboxylate
CID 153359412
ethyl 2'-methyl-4'-(trifluoromethylsulfonyloxy)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-b]pyridine]-3'-carboxylate
CID 18689835

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate?
The IUPAC name of ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate (CID 175827229) is ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate?
The canonical SMILES for ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate is CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)C[C@](C)(COC)O1.
What is the InChIKey of ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate?
The InChIKey is LLVFWMYYPVSQPZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F3O7S/c1-4-19-9(15)8-7(5-10(2,20-8)6-18-3)21-22(16,17)11(12,13)14/h4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate?
ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate has a molecular weight of 348.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(methoxymethyl)-2-methyl-4-(trifluoromethylsulfonyloxy)-3H-furan-5-carboxylate is sourced from PubChem (CID 175827229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).