methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate

C8H9F3O5S — CID 10880291

IUPACmethyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H9F3O5S/c1-15-7(12)5-3-2-4-6(5)16-17(13,14)8(9,10)11/h2-4H2,1H3
InChIKeyYXSARWFSYZHULU-UHFFFAOYSA-N
MW274.22 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate

methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate (PubChem CID 10880291) has the molecular formula C8H9F3O5S and a molecular weight of 274.22 g/mol. Its IUPAC name is methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate
PubChem CID10880291
Molecular FormulaC8H9F3O5S
Molecular Weight274.22 g/mol
Exact Mass274.01
IUPAC Namemethyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H9F3O5S/c1-15-7(12)5-3-2-4-6(5)16-17(13,14)8(9,10)11/h2-4H2,1H3
InChIKeyYXSARWFSYZHULU-UHFFFAOYSA-N
XLogP1.46
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(trifluoromethanesulfonyloxy)cyclohex-1-ene-1-carboxylate
CID 394599
Methyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate
CID 11077056
Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclopent-1-enecarboxylate
CID 2779887
Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohept-1-enecarboxylate
CID 10041434
2-(Trifluoromethylsulfonyloxy)-1-cyclooctene-1-carboxylic acid ethyl ester
CID 10042253
Methyl 6-methyl-2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
CID 13312133
2-[(Trifluoromethylsulfonyl)oxy]cycloheptene-1-carboxylic acid methyl ester
CID 14384481
Ethyl 2-fluorosulfonyloxycyclopentene-1-carboxylate
CID 85689185
Ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)cyclohexene-1-carboxylate
CID 11102432
Methyl 3,3-diethyl-2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate
CID 21364616
Methyl 2-(2,2,2-trifluoroacetyl)oxycyclopentene-1-carboxylate
CID 54105014
Methyl 5-propyl-2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylate
CID 57552327

Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate (CID 10880291) is methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate is COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCC1.
What is the InChIKey of methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate?
The InChIKey is YXSARWFSYZHULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O5S/c1-15-7(12)5-3-2-4-6(5)16-17(13,14)8(9,10)11/h2-4H2,1H3.
What are the key properties of methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate?
methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate has a molecular weight of 274.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate is sourced from PubChem (CID 10880291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).